2-[(5-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol

C14H16ClNOS — CID 63260764

IUPAC2-[(5-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol
SMILESOCC(Cc1ccccc1)NCc1ccc(Cl)s1
InChIInChI=1S/C14H16ClNOS/c15-14-7-6-13(18-14)9-16-12(10-17)8-11-4-2-1-3-5-11/h1-7,12,16-17H,8-10H2
InChIKeyPGBKRTJEJWBBRK-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.09
Rot. Bonds6

About 2-[(5-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol

2-[(5-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol (PubChem CID 63260764) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol
PubChem CID63260764
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC Name2-[(5-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol
SMILESOCC(Cc1ccccc1)NCc1ccc(Cl)s1
InChIInChI=1S/C14H16ClNOS/c15-14-7-6-13(18-14)9-16-12(10-17)8-11-4-2-1-3-5-11/h1-7,12,16-17H,8-10H2
InChIKeyPGBKRTJEJWBBRK-UHFFFAOYSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-chlorothiophen-2-yl)methylamino]-5-phenylpentanoic acid
CID 120511860
2-[(2,6-dichlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 63260434
(2S)-2-[(2-chlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 6612703
2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-3-phenylpropan-1-ol
CID 102835691
2-[(5-chlorothiophen-2-yl)methylamino]hex-4-yn-1-ol
CID 126834125
(2R)-3-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]propan-1-ol
CID 107860780
5-chloro-N-(1-hydroxy-3-phenylpropan-2-yl)thiophene-2-carboxamide
CID 55169960
4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
CID 102809787
2-chloro-6-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]phenol
CID 115907196
2-[(2,5-dimethylthiophen-3-yl)methylamino]-3-phenylpropan-1-ol
CID 55167666
N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
CID 43179335
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
CID 28564868

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol (CID 63260764) is 2-[(5-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol is OCC(Cc1ccccc1)NCc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol?
The InChIKey is PGBKRTJEJWBBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c15-14-7-6-13(18-14)9-16-12(10-17)8-11-4-2-1-3-5-11/h1-7,12,16-17H,8-10H2.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol?
2-[(5-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol has a molecular weight of 281.81 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 63260764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).