(1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine

C15H17ClN2 — CID 81366506

IUPAC(1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
SMILESCC(N[C@@H](C)c1cccc(Cl)c1)c1ccccn1
InChIInChI=1S/C15H17ClN2/c1-11(13-6-5-7-14(16)10-13)18-12(2)15-8-3-4-9-17-15/h3-12,18H,1-2H3/t11-,12?/m0/s1
InChIKeyQRPZTQSZCOYGEW-PXYINDEMSA-N
MW260.77 g/mol
LogP4.15
Rot. Bonds4

About (1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine

(1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine (PubChem CID 81366506) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is (1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
PubChem CID81366506
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name(1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
SMILESCC(N[C@@H](C)c1cccc(Cl)c1)c1ccccn1
InChIInChI=1S/C15H17ClN2/c1-11(13-6-5-7-14(16)10-13)18-12(2)15-8-3-4-9-17-15/h3-12,18H,1-2H3/t11-,12?/m0/s1
InChIKeyQRPZTQSZCOYGEW-PXYINDEMSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43202325
1-(3-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 81402285
(1R)-1-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81367216
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
3-[1-(1-pyridin-2-ylethylamino)ethyl]benzonitrile
CID 43767322
(1S)-1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)ethanamine
CID 81405517
(1S)-1-(3-chlorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 81366500
1-(3-fluoro-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81401331
1-(4-bromophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 79040984
N-[(1S)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 26907997
N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 26907996
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81366687

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine?
The IUPAC name of (1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine (CID 81366506) is (1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine.
What is the SMILES notation for (1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine?
The canonical SMILES for (1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine is CC(N[C@@H](C)c1cccc(Cl)c1)c1ccccn1.
What is the InChIKey of (1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine?
The InChIKey is QRPZTQSZCOYGEW-PXYINDEMSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-11(13-6-5-7-14(16)10-13)18-12(2)15-8-3-4-9-17-15/h3-12,18H,1-2H3/t11-,12?/m0/s1.
What are the key properties of (1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine?
(1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine has a molecular weight of 260.77 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine is sourced from PubChem (CID 81366506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).