(1R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol

C14H15Cl2NOS — CID 134419988

IUPAC(1R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol
SMILESCNCC(c1ccc(Cl)c(Cl)c1)[C@@H](O)c1ccsc1
InChIInChI=1S/C14H15Cl2NOS/c1-17-7-11(14(18)10-4-5-19-8-10)9-2-3-12(15)13(16)6-9/h2-6,8,11,14,17-18H,7H2,1H3/t11?,14-/m0/s1
InChIKeyOBLQTDRIHYWTHA-IAXJKZSUSA-N
MW316.25 g/mol
LogP4.09
Rot. Bonds5

About (1R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol

(1R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol (PubChem CID 134419988) has the molecular formula C14H15Cl2NOS and a molecular weight of 316.25 g/mol. Its IUPAC name is (1R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name(1R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol
PubChem CID134419988
Molecular FormulaC14H15Cl2NOS
Molecular Weight316.25 g/mol
Exact Mass315.03
IUPAC Name(1R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol
SMILESCNCC(c1ccc(Cl)c(Cl)c1)[C@@H](O)c1ccsc1
InChIInChI=1S/C14H15Cl2NOS/c1-17-7-11(14(18)10-4-5-19-8-10)9-2-3-12(15)13(16)6-9/h2-6,8,11,14,17-18H,7H2,1H3/t11?,14-/m0/s1
InChIKeyOBLQTDRIHYWTHA-IAXJKZSUSA-N
XLogP4.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-2-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol
CID 118675472
3-(methylamino)-1-thiophen-3-ylpropane-1,2-diol
CID 171857359
2-[1-(3,4-dichlorophenyl)propylamino]-1-thiophen-3-ylethanol
CID 103785268
(1R,2R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 118675659
(1S)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-(3-methylsulfonylphenyl)propan-1-ol
CID 134419986
(1S,2S)-2-(3,4-dichlorophenyl)-1-(5-methoxy-3-pyridinyl)-3-(methylamino)propan-1-ol;hydrochloride
CID 118675442
N-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]ethanamine
CID 43492782
2-(3,4-dichlorophenyl)-N-methylbutan-1-amine
CID 23202154
(2R)-1-(3,4-dichlorophenyl)butane-1,2-diol
CID 140978275
(R)-(3,4-dichlorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171220907
3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-3-ylpropan-1-ol
CID 65189562
1-(3,4-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61078368

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol?
The IUPAC name of (1R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol (CID 134419988) is (1R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for (1R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol?
The canonical SMILES for (1R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol is CNCC(c1ccc(Cl)c(Cl)c1)[C@@H](O)c1ccsc1.
What is the InChIKey of (1R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol?
The InChIKey is OBLQTDRIHYWTHA-IAXJKZSUSA-N. The full InChI is InChI=1S/C14H15Cl2NOS/c1-17-7-11(14(18)10-4-5-19-8-10)9-2-3-12(15)13(16)6-9/h2-6,8,11,14,17-18H,7H2,1H3/t11?,14-/m0/s1.
What are the key properties of (1R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol?
(1R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol has a molecular weight of 316.25 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 134419988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).