(1R)-1-(4-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)-1-thiophen-2-ylmethanamine

C16H15ClN2S — CID 97048181

IUPAC(1R)-1-(4-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)-1-thiophen-2-ylmethanamine
SMILESClc1ccc([C@@H](NCc2cc[nH]c2)c2cccs2)cc1
InChIInChI=1S/C16H15ClN2S/c17-14-5-3-13(4-6-14)16(15-2-1-9-20-15)19-11-12-7-8-18-10-12/h1-10,16,18-19H,11H2/t16-/m1/s1
InChIKeyIYXRDROEUPLFEY-MRXNPFEDSA-N
MW302.83 g/mol
LogP4.61
Rot. Bonds5

About (1R)-1-(4-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)-1-thiophen-2-ylmethanamine

(1R)-1-(4-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)-1-thiophen-2-ylmethanamine (PubChem CID 97048181) has the molecular formula C16H15ClN2S and a molecular weight of 302.83 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)-1-thiophen-2-ylmethanamine
PubChem CID97048181
Molecular FormulaC16H15ClN2S
Molecular Weight302.83 g/mol
Exact Mass302.06
IUPAC Name(1R)-1-(4-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)-1-thiophen-2-ylmethanamine
SMILESClc1ccc([C@@H](NCc2cc[nH]c2)c2cccs2)cc1
InChIInChI=1S/C16H15ClN2S/c17-14-5-3-13(4-6-14)16(15-2-1-9-20-15)19-11-12-7-8-18-10-12/h1-10,16,18-19H,11H2/t16-/m1/s1
InChIKeyIYXRDROEUPLFEY-MRXNPFEDSA-N
XLogP4.61
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 8863493
N-[(4-methylphenyl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 43224410
(1S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)-1-thiophen-2-ylmethanamine
CID 8868524
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 9051553
N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43393768
4-amino-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]butanamide
CID 119296390
2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 126769820
1-phenyl-N-(pyrimidin-4-ylmethyl)-1-thiophen-2-ylmethanamine
CID 62749247
N-(1H-pyrrol-3-ylmethyl)-2-thiophen-2-ylaniline
CID 66408303
N-[(4-phenylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43489570
(1S)-1-pyridin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 81405590
N-[(3-fluorophenyl)methyl]-1,1-dithiophen-2-ylmethanamine
CID 43773033

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)-1-thiophen-2-ylmethanamine?
The IUPAC name of (1R)-1-(4-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)-1-thiophen-2-ylmethanamine (CID 97048181) is (1R)-1-(4-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)-1-thiophen-2-ylmethanamine.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)-1-thiophen-2-ylmethanamine?
The canonical SMILES for (1R)-1-(4-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)-1-thiophen-2-ylmethanamine is Clc1ccc([C@@H](NCc2cc[nH]c2)c2cccs2)cc1.
What is the InChIKey of (1R)-1-(4-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)-1-thiophen-2-ylmethanamine?
The InChIKey is IYXRDROEUPLFEY-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H15ClN2S/c17-14-5-3-13(4-6-14)16(15-2-1-9-20-15)19-11-12-7-8-18-10-12/h1-10,16,18-19H,11H2/t16-/m1/s1.
What are the key properties of (1R)-1-(4-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)-1-thiophen-2-ylmethanamine?
(1R)-1-(4-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)-1-thiophen-2-ylmethanamine has a molecular weight of 302.83 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 97048181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).