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

C14H16ClNOS — CID 100697175

IUPAC(3R)-3-[(3-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol
SMILESOCC[C@@H](NCc1sccc1Cl)c1ccccc1
InChIInChI=1S/C14H16ClNOS/c15-12-7-9-18-14(12)10-16-13(6-8-17)11-4-2-1-3-5-11/h1-5,7,9,13,16-17H,6,8,10H2/t13-/m1/s1
InChIKeyACRKNDWPOBEJQW-CYBMUJFWSA-N
MW281.81 g/mol
LogP3.61
Rot. Bonds6

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

(3R)-3-[(3-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol (PubChem CID 100697175) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is (3R)-3-[(3-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(3R)-3-[(3-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol
PubChem CID100697175
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC Name(3R)-3-[(3-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol
SMILESOCC[C@@H](NCc1sccc1Cl)c1ccccc1
InChIInChI=1S/C14H16ClNOS/c15-12-7-9-18-14(12)10-16-13(6-8-17)11-4-2-1-3-5-11/h1-5,7,9,13,16-17H,6,8,10H2/t13-/m1/s1
InChIKeyACRKNDWPOBEJQW-CYBMUJFWSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3-chlorothiophen-2-yl)methylamino]-2-thiophen-3-ylethanol
CID 100697818
(2R)-2-[(3-bromothiophen-2-yl)methylamino]-2-phenylethanol
CID 95027212
2,4-dichloro-6-[[[(1R)-3-hydroxy-1-phenylpropyl]amino]methyl]phenol
CID 111449956
(3R)-3-[(5-nitrothiophen-3-yl)methylamino]-3-phenylpropan-1-ol
CID 111449899
(3R)-3-phenyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 111449969
2-[(2,6-dichlorophenyl)methylamino]-2-phenylethanol
CID 63182715
3-(3,4-dichlorophenyl)-3-(2-phenylpropylamino)propan-1-ol
CID 67925877
(3R)-3-[(2,3-difluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 111449890
(3R)-3-[(3,4-difluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 111449962
(3R)-3-[(4-methylsulfanylphenyl)methylamino]-3-phenylpropan-1-ol
CID 111449945
(3-chlorothiophen-2-yl)methylcarbamic acid
CID 130345010
2-[[(3-methyl-1-phenylbutyl)amino]methyl]thiophen-3-amine
CID 66385749

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol?
The IUPAC name of (3R)-3-[(3-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol (CID 100697175) is (3R)-3-[(3-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (3R)-3-[(3-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (3R)-3-[(3-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol is OCC[C@@H](NCc1sccc1Cl)c1ccccc1.
What is the InChIKey of (3R)-3-[(3-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol?
The InChIKey is ACRKNDWPOBEJQW-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H16ClNOS/c15-12-7-9-18-14(12)10-16-13(6-8-17)11-4-2-1-3-5-11/h1-5,7,9,13,16-17H,6,8,10H2/t13-/m1/s1.
What are the key properties of (3R)-3-[(3-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol?
(3R)-3-[(3-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol has a molecular weight of 281.81 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 100697175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).