1-(2-chlorophenyl)-N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine

C23H25ClN2O — CID 55684027

IUPAC1-(2-chlorophenyl)-N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine
SMILESCc1cc(CNC(C)c2ccccc2Cl)cc(C)c1OCc1ccccn1
InChIInChI=1S/C23H25ClN2O/c1-16-12-19(14-26-18(3)21-9-4-5-10-22(21)24)13-17(2)23(16)27-15-20-8-6-7-11-25-20/h4-13,18,26H,14-15H2,1-3H3
InChIKeyKLPXLYWUQQEFCR-UHFFFAOYSA-N
MW380.92 g/mol
LogP5.78
Rot. Bonds7

About 1-(2-chlorophenyl)-N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine

1-(2-chlorophenyl)-N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine (PubChem CID 55684027) has the molecular formula C23H25ClN2O and a molecular weight of 380.92 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine
PubChem CID55684027
Molecular FormulaC23H25ClN2O
Molecular Weight380.92 g/mol
Exact Mass380.17
IUPAC Name1-(2-chlorophenyl)-N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine
SMILESCc1cc(CNC(C)c2ccccc2Cl)cc(C)c1OCc1ccccn1
InChIInChI=1S/C23H25ClN2O/c1-16-12-19(14-26-18(3)21-9-4-5-10-22(21)24)13-17(2)23(16)27-15-20-8-6-7-11-25-20/h4-13,18,26H,14-15H2,1-3H3
InChIKeyKLPXLYWUQQEFCR-UHFFFAOYSA-N
XLogP5.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.92
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-chlorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 81376878
N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 55684128
1-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]-2-methylpropan-2-ol
CID 119128600
N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methylcyclopropan-1-amine
CID 119122246
5-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]pentanenitrile
CID 119115265
1-(2-chlorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 22483271
1-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine
CID 22483034
(1R)-1-(2-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81377262
1-(2-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 55139743
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 78805239
1-(2-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
CID 114698542
4-[[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol
CID 119115046

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine (CID 55684027) is 1-(2-chlorophenyl)-N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine is Cc1cc(CNC(C)c2ccccc2Cl)cc(C)c1OCc1ccccn1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine?
The InChIKey is KLPXLYWUQQEFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O/c1-16-12-19(14-26-18(3)21-9-4-5-10-22(21)24)13-17(2)23(16)27-15-20-8-6-7-11-25-20/h4-13,18,26H,14-15H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine?
1-(2-chlorophenyl)-N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine has a molecular weight of 380.92 g/mol, XLogP of 5.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 55684027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).