(1S)-1-(4-chlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine

C15H17ClN2 — CID 138056238

IUPAC(1S)-1-(4-chlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine
SMILESC[C@@H](c1ccc(Cl)cc1)N(C)Cc1ccncc1
InChIInChI=1S/C15H17ClN2/c1-12(14-3-5-15(16)6-4-14)18(2)11-13-7-9-17-10-8-13/h3-10,12H,11H2,1-2H3/t12-/m0/s1
InChIKeySFNWMMOAYUGQHW-LBPRGKRZSA-N
MW260.77 g/mol
LogP3.93
Rot. Bonds4

About (1S)-1-(4-chlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine

(1S)-1-(4-chlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 138056238) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is (1S)-1-(4-chlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-chlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID138056238
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name(1S)-1-(4-chlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine
SMILESC[C@@H](c1ccc(Cl)cc1)N(C)Cc1ccncc1
InChIInChI=1S/C15H17ClN2/c1-12(14-3-5-15(16)6-4-14)18(2)11-13-7-9-17-10-8-13/h3-10,12H,11H2,1-2H3/t12-/m0/s1
InChIKeySFNWMMOAYUGQHW-LBPRGKRZSA-N
XLogP3.93
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 62978179
4-[(1R)-1-[(4-chlorophenyl)methyl-methylamino]ethyl]benzenesulfonamide
CID 35886708
N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62980472
2-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]pyridin-4-amine
CID 79251688
(1R)-1-(4-chlorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 95351075
2-N,3-dimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 43563996
1-(3,5-dichlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 60790409
(1S)-N-benzyl-N-methyl-1-phenylethanamine
CID 122522292
N-(2-bromoethyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 62984148
3-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-5-methoxyaniline
CID 81144884
4-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylbut-2-en-1-amine
CID 77051639
1-(4-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine
CID 62644490

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(4-chlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine (CID 138056238) is (1S)-1-(4-chlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(4-chlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(4-chlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine is C[C@@H](c1ccc(Cl)cc1)N(C)Cc1ccncc1.
What is the InChIKey of (1S)-1-(4-chlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is SFNWMMOAYUGQHW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-12(14-3-5-15(16)6-4-14)18(2)11-13-7-9-17-10-8-13/h3-10,12H,11H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-(4-chlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine?
(1S)-1-(4-chlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine has a molecular weight of 260.77 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-chlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 138056238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).