1-(3-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine

C16H19ClN2 — CID 79139531

IUPAC1-(3-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine
SMILESCCC(N[C@H](C)c1cccnc1)c1cccc(Cl)c1
InChIInChI=1S/C16H19ClN2/c1-3-16(13-6-4-8-15(17)10-13)19-12(2)14-7-5-9-18-11-14/h4-12,16,19H,3H2,1-2H3/t12-,16?/m1/s1
InChIKeyBMQFLBCSCFNEKI-ZGTOLYCTSA-N
MW274.80 g/mol
LogP4.54
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine

1-(3-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine (PubChem CID 79139531) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine
PubChem CID79139531
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name1-(3-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine
SMILESCCC(N[C@H](C)c1cccnc1)c1cccc(Cl)c1
InChIInChI=1S/C16H19ClN2/c1-3-16(13-6-4-8-15(17)10-13)19-12(2)14-7-5-9-18-11-14/h4-12,16,19H,3H2,1-2H3/t12-,16?/m1/s1
InChIKeyBMQFLBCSCFNEKI-ZGTOLYCTSA-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-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
1-(2,4-dichlorophenyl)-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 43503382
1-(3-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353113
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81366125
1-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43097661
1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 81365780
1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine
CID 81407563
1-(3-chlorophenyl)-N-[1-(4-methylsulfanylphenyl)ethyl]propan-1-amine
CID 43674027
1-(3-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106757101
N-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine
CID 43131327
1-(3-chlorophenyl)-N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 43674019
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 81366262

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine (CID 79139531) is 1-(3-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine is CCC(N[C@H](C)c1cccnc1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine?
The InChIKey is BMQFLBCSCFNEKI-ZGTOLYCTSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-3-16(13-6-4-8-15(17)10-13)19-12(2)14-7-5-9-18-11-14/h4-12,16,19H,3H2,1-2H3/t12-,16?/m1/s1.
What are the key properties of 1-(3-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine?
1-(3-chlorophenyl)-N-[(1R)-1-pyridin-3-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-(3-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine is sourced from PubChem (CID 79139531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).