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

C15H17ClN2 — CID 104868538

IUPAC(1R)-N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-2-ylethanamine
SMILESCc1cc(Cl)ccc1CN[C@H](C)c1ccccn1
InChIInChI=1S/C15H17ClN2/c1-11-9-14(16)7-6-13(11)10-18-12(2)15-5-3-4-8-17-15/h3-9,12,18H,10H2,1-2H3/t12-/m1/s1
InChIKeyGBFDSSYJSAOEKU-GFCCVEGCSA-N
MW260.77 g/mol
LogP3.89
Rot. Bonds4

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

(1R)-N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-2-ylethanamine (PubChem CID 104868538) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is (1R)-N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-2-ylethanamine
PubChem CID104868538
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name(1R)-N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-2-ylethanamine
SMILESCc1cc(Cl)ccc1CN[C@H](C)c1ccccn1
InChIInChI=1S/C15H17ClN2/c1-11-9-14(16)7-6-13(11)10-18-12(2)15-5-3-4-8-17-15/h3-9,12,18H,10H2,1-2H3/t12-/m1/s1
InChIKeyGBFDSSYJSAOEKU-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

3-methyl-4-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzonitrile
CID 104930155
(1R)-N-[(4-chloro-2-nitrophenyl)methyl]-1-pyridin-2-ylethanamine
CID 81406489
(1R)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-pyridin-2-ylethanamine
CID 81392405
N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 43396923
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 104853862
1-pyridin-2-yl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43181287
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81401879
N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 43181276
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 28647738
(1S)-N-[(4-chlorothiophen-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401866
(1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 104930267

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-2-ylethanamine?
The IUPAC name of (1R)-N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-2-ylethanamine (CID 104868538) is (1R)-N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1R)-N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for (1R)-N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-2-ylethanamine is Cc1cc(Cl)ccc1CN[C@H](C)c1ccccn1.
What is the InChIKey of (1R)-N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-2-ylethanamine?
The InChIKey is GBFDSSYJSAOEKU-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-11-9-14(16)7-6-13(11)10-18-12(2)15-5-3-4-8-17-15/h3-9,12,18H,10H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-2-ylethanamine?
(1R)-N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-2-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-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 104868538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).