N-[[6-(2-methylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline

C31H34N2 — CID 20637527

IUPACN-[[6-(2-methylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline
SMILESCc1ccccc1-c1cccc(C(Nc2c(C(C)C)cccc2C(C)C)c2ccccc2)n1
InChIInChI=1S/C31H34N2/c1-21(2)25-17-11-18-26(22(3)4)31(25)33-30(24-14-7-6-8-15-24)29-20-12-19-28(32-29)27-16-10-9-13-23(27)5/h6-22,30,33H,1-5H3
InChIKeyRSWLBMKXBBKETB-UHFFFAOYSA-N
MW434.63 g/mol
LogP8.51
Rot. Bonds7

About N-[[6-(2-methylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline

N-[[6-(2-methylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline (PubChem CID 20637527) has the molecular formula C31H34N2 and a molecular weight of 434.63 g/mol. Its IUPAC name is N-[[6-(2-methylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-[[6-(2-methylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline
PubChem CID20637527
Molecular FormulaC31H34N2
Molecular Weight434.63 g/mol
Exact Mass434.27
IUPAC NameN-[[6-(2-methylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline
SMILESCc1ccccc1-c1cccc(C(Nc2c(C(C)C)cccc2C(C)C)c2ccccc2)n1
InChIInChI=1S/C31H34N2/c1-21(2)25-17-11-18-26(22(3)4)31(25)33-30(24-14-7-6-8-15-24)29-20-12-19-28(32-29)27-16-10-9-13-23(27)5/h6-22,30,33H,1-5H3
InChIKeyRSWLBMKXBBKETB-UHFFFAOYSA-N
XLogP8.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.63
LogP ≤ 58.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(6-phenyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline
CID 59760636
N-[phenyl-[6-[tri(propan-2-yl)-λ4-sulfanyl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline
CID 155246140
N-benzhydryl-2,6-di(propan-2-yl)aniline
CID 100979408
4-[[3-[[2,6-di(propan-2-yl)anilino]-(6-naphthalen-1-yl-2-pyridinyl)methyl]-5-methylphenyl]methyl]-N-[(2-methylphenyl)-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-di(propan-2-yl)aniline
CID 142140323
2,6-di(propan-2-yl)-N-[(R)-(2-propan-2-ylphenyl)-(6-pyridin-2-yl-2-pyridinyl)methyl]aniline
CID 102236466
N-[anthracen-9-yl-(6-naphthalen-1-yl-2-pyridinyl)methyl]-2,6-diethylaniline;2,6-diethyl-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]aniline;2,6-diethyl-N-[phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]aniline;N-[[6-(4-methoxyphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[[6-(2-methylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline
CID 159661438
2-butan-2-yl-6-methyl-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]aniline;N-[[6-(2,4-difluorophenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[[6-(2,6-difluorophenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[[6-(4-methoxyphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[[6-(2-methylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-2,6-di(propan-2-yl)aniline
CID 158538371
N-[phenyl-[6-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline
CID 162578373
2,6-diethyl-N-[[6-(4-fluorophenyl)-2-pyridinyl]-phenanthren-9-ylmethyl]aniline;N-[[6-(2,6-difluorophenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline;N-[[6-(3,5-dimethylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline;2-methyl-N-[(6-naphthalen-1-yl-2-pyridinyl)-phenylmethyl]-6-propan-2-ylaniline
CID 158623688
N-[(S)-[6-[(2R)-2-methyl-2,3-dihydro-1H-indol-7-yl]-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline
CID 159040776
N-[(S)-(4-tert-butylphenyl)-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline
CID 157467887
N-[(R)-[6-[(2S)-2-methyl-1,2,3,4-tetrahydroquinolin-8-yl]-2-pyridinyl]-(2-phenylphenyl)methyl]-2,6-di(propan-2-yl)aniline
CID 158937448

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline?
The IUPAC name of N-[[6-(2-methylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline (CID 20637527) is N-[[6-(2-methylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for N-[[6-(2-methylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline?
The canonical SMILES for N-[[6-(2-methylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline is Cc1ccccc1-c1cccc(C(Nc2c(C(C)C)cccc2C(C)C)c2ccccc2)n1.
What is the InChIKey of N-[[6-(2-methylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline?
The InChIKey is RSWLBMKXBBKETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2/c1-21(2)25-17-11-18-26(22(3)4)31(25)33-30(24-14-7-6-8-15-24)29-20-12-19-28(32-29)27-16-10-9-13-23(27)5/h6-22,30,33H,1-5H3.
What are the key properties of N-[[6-(2-methylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline?
N-[[6-(2-methylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline has a molecular weight of 434.63 g/mol, XLogP of 8.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-methylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 20637527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).