(1R)-N-[(2-chloro-4-methylphenyl)methyl]-1-pyridin-4-ylethanamine

C15H17ClN2 — CID 106862995

IUPAC(1R)-N-[(2-chloro-4-methylphenyl)methyl]-1-pyridin-4-ylethanamine
SMILESCc1ccc(CN[C@H](C)c2ccncc2)c(Cl)c1
InChIInChI=1S/C15H17ClN2/c1-11-3-4-14(15(16)9-11)10-18-12(2)13-5-7-17-8-6-13/h3-9,12,18H,10H2,1-2H3/t12-/m1/s1
InChIKeyIIKSHAXZGCXPMM-GFCCVEGCSA-N
MW260.77 g/mol
LogP3.89
Rot. Bonds4

About (1R)-N-[(2-chloro-4-methylphenyl)methyl]-1-pyridin-4-ylethanamine

(1R)-N-[(2-chloro-4-methylphenyl)methyl]-1-pyridin-4-ylethanamine (PubChem CID 106862995) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is (1R)-N-[(2-chloro-4-methylphenyl)methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(2-chloro-4-methylphenyl)methyl]-1-pyridin-4-ylethanamine
PubChem CID106862995
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name(1R)-N-[(2-chloro-4-methylphenyl)methyl]-1-pyridin-4-ylethanamine
SMILESCc1ccc(CN[C@H](C)c2ccncc2)c(Cl)c1
InChIInChI=1S/C15H17ClN2/c1-11-3-4-14(15(16)9-11)10-18-12(2)13-5-7-17-8-6-13/h3-9,12,18H,10H2,1-2H3/t12-/m1/s1
InChIKeyIIKSHAXZGCXPMM-GFCCVEGCSA-N
XLogP3.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-4-methylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 106862514
(1R)-N-[(2,4-dimethylphenyl)methyl]-1-pyridin-4-ylethanamine
CID 28643694
(1S)-N-[(3-chloro-4-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81355702
N-[(2,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 65316008
3-chloro-N'-hydroxy-4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]benzenecarboximidamide
CID 102667374
2,4-dichloro-6-[(1-pyridin-4-ylethylamino)methyl]phenol
CID 43202255
(1S)-1-(4-bromophenyl)-N-[(3-chloro-4-pyridinyl)methyl]ethanamine
CID 81359257
(1R)-N-[(2,4-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363606
(1R)-N-[(3,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406292
N-[(2-chloro-4-methylphenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 106862491
(1S)-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669648
(1R)-N-[(2-chloro-4-nitrophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81350231

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2-chloro-4-methylphenyl)methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of (1R)-N-[(2-chloro-4-methylphenyl)methyl]-1-pyridin-4-ylethanamine (CID 106862995) is (1R)-N-[(2-chloro-4-methylphenyl)methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1R)-N-[(2-chloro-4-methylphenyl)methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for (1R)-N-[(2-chloro-4-methylphenyl)methyl]-1-pyridin-4-ylethanamine is Cc1ccc(CN[C@H](C)c2ccncc2)c(Cl)c1.
What is the InChIKey of (1R)-N-[(2-chloro-4-methylphenyl)methyl]-1-pyridin-4-ylethanamine?
The InChIKey is IIKSHAXZGCXPMM-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-11-3-4-14(15(16)9-11)10-18-12(2)13-5-7-17-8-6-13/h3-9,12,18H,10H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-N-[(2-chloro-4-methylphenyl)methyl]-1-pyridin-4-ylethanamine?
(1R)-N-[(2-chloro-4-methylphenyl)methyl]-1-pyridin-4-ylethanamine has a molecular weight of 260.77 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2-chloro-4-methylphenyl)methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 106862995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).