1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine

C16H19ClN2 — CID 79040070

IUPAC1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
SMILESCCC(N[C@@H](C)c1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2/c1-3-15(13-7-9-14(17)10-8-13)19-12(2)16-6-4-5-11-18-16/h4-12,15,19H,3H2,1-2H3/t12-,15?/m0/s1
InChIKeyQPSHIZQGOCKFCG-SFVWDYPZSA-N
MW274.80 g/mol
LogP4.54
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine

1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine (PubChem CID 79040070) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
PubChem CID79040070
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
SMILESCCC(N[C@@H](C)c1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2/c1-3-15(13-7-9-14(17)10-8-13)19-12(2)16-6-4-5-11-18-16/h4-12,15,19H,3H2,1-2H3/t12-,15?/m0/s1
InChIKeyQPSHIZQGOCKFCG-SFVWDYPZSA-N
XLogP4.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]propan-1-amine
CID 81401492
1-(4-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43202325
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929
4-chloro-N-(1-pyridin-2-ylethyl)aniline
CID 43194293
1-(4-chlorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol
CID 81406911
3-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine
CID 81402254
(1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81366506
2-[1-[1-(4-chlorophenyl)propylamino]ethyl]benzene-1,3-diol
CID 107710624
1-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43097661
N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 81354126
N-[(1R)-1-pyridin-2-ylethyl]pentan-2-amine
CID 81401489
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
CID 81350091

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine (CID 79040070) is 1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine is CCC(N[C@@H](C)c1ccccn1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine?
The InChIKey is QPSHIZQGOCKFCG-SFVWDYPZSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-3-15(13-7-9-14(17)10-8-13)19-12(2)16-6-4-5-11-18-16/h4-12,15,19H,3H2,1-2H3/t12-,15?/m0/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine?
1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine has a molecular weight of 274.80 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine is sourced from PubChem (CID 79040070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).