N-[phenyl-(2-propan-2-ylphenyl)methyl]aniline

C22H23N — CID 606420

IUPACN-[phenyl-(2-propan-2-ylphenyl)methyl]aniline
SMILESCC(C)c1ccccc1C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C22H23N/c1-17(2)20-15-9-10-16-21(20)22(18-11-5-3-6-12-18)23-19-13-7-4-8-14-19/h3-17,22-23H,1-2H3
InChIKeyJVNKIZLECHFQTI-UHFFFAOYSA-N
MW301.43 g/mol
LogP6.01
Rot. Bonds5

About N-[phenyl-(2-propan-2-ylphenyl)methyl]aniline

N-[phenyl-(2-propan-2-ylphenyl)methyl]aniline (PubChem CID 606420) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[phenyl-(2-propan-2-ylphenyl)methyl]aniline.

Molecular Properties

Compound NameN-[phenyl-(2-propan-2-ylphenyl)methyl]aniline
PubChem CID606420
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC NameN-[phenyl-(2-propan-2-ylphenyl)methyl]aniline
SMILESCC(C)c1ccccc1C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C22H23N/c1-17(2)20-15-9-10-16-21(20)22(18-11-5-3-6-12-18)23-19-13-7-4-8-14-19/h3-17,22-23H,1-2H3
InChIKeyJVNKIZLECHFQTI-UHFFFAOYSA-N
XLogP6.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 100979408
1,2-di(propan-2-yl)benzene;dihydrate
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2-[(4-bromoanilino)-phenylmethyl]phenol
CID 163183613
N-[(2R)-1,1,1-trifluoropropan-2-yl]aniline
CID 170589849
N-[(1-methylimidazol-2-yl)-phenylmethyl]aniline
CID 12062920
cumene;N-phenylaniline
CID 22645781
N-[phenyl(1H-pyrrol-2-yl)methyl]aniline
CID 174623449
N-benzhydryl-4-ethylaniline
CID 175202309
N-(3-methyl-1-phenylbutyl)-2-propan-2-ylaniline
CID 43111805
ethane;1-phenyl-2-propan-2-ylbenzene
CID 161308506
1-N,1-diphenylbutane-1,3-diamine
CID 542026
N-[phenyl(pyridin-3-yl)methyl]aniline
CID 59907870

Frequently Asked Questions

What is the IUPAC name of N-[phenyl-(2-propan-2-ylphenyl)methyl]aniline?
The IUPAC name of N-[phenyl-(2-propan-2-ylphenyl)methyl]aniline (CID 606420) is N-[phenyl-(2-propan-2-ylphenyl)methyl]aniline.
What is the SMILES notation for N-[phenyl-(2-propan-2-ylphenyl)methyl]aniline?
The canonical SMILES for N-[phenyl-(2-propan-2-ylphenyl)methyl]aniline is CC(C)c1ccccc1C(Nc1ccccc1)c1ccccc1.
What is the InChIKey of N-[phenyl-(2-propan-2-ylphenyl)methyl]aniline?
The InChIKey is JVNKIZLECHFQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N/c1-17(2)20-15-9-10-16-21(20)22(18-11-5-3-6-12-18)23-19-13-7-4-8-14-19/h3-17,22-23H,1-2H3.
What are the key properties of N-[phenyl-(2-propan-2-ylphenyl)methyl]aniline?
N-[phenyl-(2-propan-2-ylphenyl)methyl]aniline has a molecular weight of 301.43 g/mol, XLogP of 6.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl-(2-propan-2-ylphenyl)methyl]aniline is sourced from PubChem (CID 606420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).