(1R)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine

C14H17ClN2S — CID 97322859

IUPAC(1R)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine
SMILESCC[C@@H](N[C@@H](C)c1ccc(Cl)s1)c1ccncc1
InChIInChI=1S/C14H17ClN2S/c1-3-12(11-6-8-16-9-7-11)17-10(2)13-4-5-14(15)18-13/h4-10,12,17H,3H2,1-2H3/t10-,12+/m0/s1
InChIKeyXFXVLBCNKBTISY-CMPLNLGQSA-N
MW280.82 g/mol
LogP4.60
Rot. Bonds5

About (1R)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine

(1R)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine (PubChem CID 97322859) has the molecular formula C14H17ClN2S and a molecular weight of 280.82 g/mol. Its IUPAC name is (1R)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name(1R)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine
PubChem CID97322859
Molecular FormulaC14H17ClN2S
Molecular Weight280.82 g/mol
Exact Mass280.08
IUPAC Name(1R)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine
SMILESCC[C@@H](N[C@@H](C)c1ccc(Cl)s1)c1ccncc1
InChIInChI=1S/C14H17ClN2S/c1-3-12(11-6-8-16-9-7-11)17-10(2)13-4-5-14(15)18-13/h4-10,12,17H,3H2,1-2H3/t10-,12+/m0/s1
InChIKeyXFXVLBCNKBTISY-CMPLNLGQSA-N
XLogP4.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine
CID 97322861
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-phenylbutan-1-amine
CID 43692482
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpentan-3-amine
CID 43782969
(4S)-4-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]amino]-4-phenylbutan-1-ol
CID 97322792
N-[1-(5-bromothiophen-2-yl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 63431288
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
CID 54962931
1-(4-chlorophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 63431464
N-[1-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine
CID 43438933
1-(4-methylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405927
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-ethyl-1-phenylbutan-1-amine
CID 43734683
1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405940

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine?
The IUPAC name of (1R)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine (CID 97322859) is (1R)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for (1R)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine?
The canonical SMILES for (1R)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine is CC[C@@H](N[C@@H](C)c1ccc(Cl)s1)c1ccncc1.
What is the InChIKey of (1R)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine?
The InChIKey is XFXVLBCNKBTISY-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H17ClN2S/c1-3-12(11-6-8-16-9-7-11)17-10(2)13-4-5-14(15)18-13/h4-10,12,17H,3H2,1-2H3/t10-,12+/m0/s1.
What are the key properties of (1R)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine?
(1R)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine has a molecular weight of 280.82 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 97322859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).