1-(4-chlorophenyl)-N-[[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]methyl]-N-methylmethanamine

C25H29ClN2O — CID 66993974

IUPAC1-(4-chlorophenyl)-N-[[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]methyl]-N-methylmethanamine
SMILESCCc1cccc(CC)c1-c1cc(OC)c(CN(C)Cc2ccc(Cl)cc2)cn1
InChIInChI=1S/C25H29ClN2O/c1-5-19-8-7-9-20(6-2)25(19)23-14-24(29-4)21(15-27-23)17-28(3)16-18-10-12-22(26)13-11-18/h7-15H,5-6,16-17H2,1-4H3
InChIKeyQYHAPHSAJADQJO-UHFFFAOYSA-N
MW408.97 g/mol
LogP6.17
Rot. Bonds8

About 1-(4-chlorophenyl)-N-[[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]methyl]-N-methylmethanamine

1-(4-chlorophenyl)-N-[[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]methyl]-N-methylmethanamine (PubChem CID 66993974) has the molecular formula C25H29ClN2O and a molecular weight of 408.97 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]methyl]-N-methylmethanamine
PubChem CID66993974
Molecular FormulaC25H29ClN2O
Molecular Weight408.97 g/mol
Exact Mass408.20
IUPAC Name1-(4-chlorophenyl)-N-[[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]methyl]-N-methylmethanamine
SMILESCCc1cccc(CC)c1-c1cc(OC)c(CN(C)Cc2ccc(Cl)cc2)cn1
InChIInChI=1S/C25H29ClN2O/c1-5-19-8-7-9-20(6-2)25(19)23-14-24(29-4)21(15-27-23)17-28(3)16-18-10-12-22(26)13-11-18/h7-15H,5-6,16-17H2,1-4H3
InChIKeyQYHAPHSAJADQJO-UHFFFAOYSA-N
XLogP6.17
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.97
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]methyl]propan-1-amine
CID 66994957
5-[(4-chloro-2-fluorophenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine
CID 66994574
5-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine
CID 66994791
[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]-phenylmethanol
CID 59678346
1-(4-chlorophenyl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine
CID 26515521
[4-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785290
[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785291
N-[(4-chlorophenyl)methyl]-2-(2-ethylphenoxy)-N-methylacetamide
CID 112778951
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
3-[[(4-chlorophenyl)methyl-methylamino]methyl]-2-fluoroaniline
CID 107347290
2-[[(4-chlorophenyl)methyl-methylamino]methyl]-4-fluoroaniline
CID 61414831
N-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]-N-methyl-1-phenylmethanamine
CID 66993843

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]methyl]-N-methylmethanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-[[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]methyl]-N-methylmethanamine (CID 66993974) is 1-(4-chlorophenyl)-N-[[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]methyl]-N-methylmethanamine is CCc1cccc(CC)c1-c1cc(OC)c(CN(C)Cc2ccc(Cl)cc2)cn1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]methyl]-N-methylmethanamine?
The InChIKey is QYHAPHSAJADQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN2O/c1-5-19-8-7-9-20(6-2)25(19)23-14-24(29-4)21(15-27-23)17-28(3)16-18-10-12-22(26)13-11-18/h7-15H,5-6,16-17H2,1-4H3.
What are the key properties of 1-(4-chlorophenyl)-N-[[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]methyl]-N-methylmethanamine?
1-(4-chlorophenyl)-N-[[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]methyl]-N-methylmethanamine has a molecular weight of 408.97 g/mol, XLogP of 6.17, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]methyl]-N-methylmethanamine is sourced from PubChem (CID 66993974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).