(1R)-2-[(3-chlorothiophen-2-yl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol

C15H18ClNO3S — CID 124625577

IUPAC(1R)-2-[(3-chlorothiophen-2-yl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol
SMILESCOc1cc(OC)cc([C@@H](O)CNCc2sccc2Cl)c1
InChIInChI=1S/C15H18ClNO3S/c1-19-11-5-10(6-12(7-11)20-2)14(18)8-17-9-15-13(16)3-4-21-15/h3-7,14,17-18H,8-9H2,1-2H3/t14-/m0/s1
InChIKeyVIZBKONCPNNFGI-AWEZNQCLSA-N
MW327.83 g/mol
LogP3.24
Rot. Bonds7

About (1R)-2-[(3-chlorothiophen-2-yl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol

(1R)-2-[(3-chlorothiophen-2-yl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol (PubChem CID 124625577) has the molecular formula C15H18ClNO3S and a molecular weight of 327.83 g/mol. Its IUPAC name is (1R)-2-[(3-chlorothiophen-2-yl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-[(3-chlorothiophen-2-yl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol
PubChem CID124625577
Molecular FormulaC15H18ClNO3S
Molecular Weight327.83 g/mol
Exact Mass327.07
IUPAC Name(1R)-2-[(3-chlorothiophen-2-yl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol
SMILESCOc1cc(OC)cc([C@@H](O)CNCc2sccc2Cl)c1
InChIInChI=1S/C15H18ClNO3S/c1-19-11-5-10(6-12(7-11)20-2)14(18)8-17-9-15-13(16)3-4-21-15/h3-7,14,17-18H,8-9H2,1-2H3/t14-/m0/s1
InChIKeyVIZBKONCPNNFGI-AWEZNQCLSA-N
XLogP3.24
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.83
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-chloro-3-pyridinyl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol
CID 111916706
1-(3,5-dimethoxyphenyl)-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol
CID 111427307
1-(4-methoxyphenyl)-2-[(5-nitrothiophen-3-yl)methylamino]ethanol
CID 110911125
1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethanol
CID 55151381
1-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 157085885
2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3-methoxyphenyl)ethanol
CID 81134929
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(3-methoxyphenyl)ethanol
CID 111114800
2-(1-benzothiophen-3-ylmethylamino)-1-(4-methoxyphenyl)ethanol
CID 110889955
methyl 4-[[(3-chlorothiophen-2-yl)methylamino]methyl]-2-methoxybenzoate
CID 99838225
1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 110893691
1-(3,5-dimethoxyphenyl)propan-1-ol
CID 42957590
1-(3-methoxyphenyl)-2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]ethanol
CID 154748611

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(3-chlorothiophen-2-yl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol?
The IUPAC name of (1R)-2-[(3-chlorothiophen-2-yl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol (CID 124625577) is (1R)-2-[(3-chlorothiophen-2-yl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol.
What is the SMILES notation for (1R)-2-[(3-chlorothiophen-2-yl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol?
The canonical SMILES for (1R)-2-[(3-chlorothiophen-2-yl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol is COc1cc(OC)cc([C@@H](O)CNCc2sccc2Cl)c1.
What is the InChIKey of (1R)-2-[(3-chlorothiophen-2-yl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol?
The InChIKey is VIZBKONCPNNFGI-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18ClNO3S/c1-19-11-5-10(6-12(7-11)20-2)14(18)8-17-9-15-13(16)3-4-21-15/h3-7,14,17-18H,8-9H2,1-2H3/t14-/m0/s1.
What are the key properties of (1R)-2-[(3-chlorothiophen-2-yl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol?
(1R)-2-[(3-chlorothiophen-2-yl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol has a molecular weight of 327.83 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(3-chlorothiophen-2-yl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol is sourced from PubChem (CID 124625577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).