(1S,2S)-1-(3-chlorophenyl)-2-(methylamino)propan-1-ol;hydrochloride

C10H15Cl2NO — CID 175665348

IUPAC(1S,2S)-1-(3-chlorophenyl)-2-(methylamino)propan-1-ol;hydrochloride
SMILESCN[C@@H](C)[C@@H](O)c1cccc(Cl)c1.Cl
InChIInChI=1S/C10H14ClNO.ClH/c1-7(12-2)10(13)8-4-3-5-9(11)6-8;/h3-7,10,12-13H,1-2H3;1H/t7-,10+;/m0./s1
InChIKeyXJMCUIRMGYXSBX-XQRIHRDZSA-N
MW236.14 g/mol
LogP2.40
Rot. Bonds3

About (1S,2S)-1-(3-chlorophenyl)-2-(methylamino)propan-1-ol;hydrochloride

(1S,2S)-1-(3-chlorophenyl)-2-(methylamino)propan-1-ol;hydrochloride (PubChem CID 175665348) has the molecular formula C10H15Cl2NO and a molecular weight of 236.14 g/mol. Its IUPAC name is (1S,2S)-1-(3-chlorophenyl)-2-(methylamino)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2S)-1-(3-chlorophenyl)-2-(methylamino)propan-1-ol;hydrochloride
PubChem CID175665348
Molecular FormulaC10H15Cl2NO
Molecular Weight236.14 g/mol
Exact Mass235.05
IUPAC Name(1S,2S)-1-(3-chlorophenyl)-2-(methylamino)propan-1-ol;hydrochloride
SMILESCN[C@@H](C)[C@@H](O)c1cccc(Cl)c1.Cl
InChIInChI=1S/C10H14ClNO.ClH/c1-7(12-2)10(13)8-4-3-5-9(11)6-8;/h3-7,10,12-13H,1-2H3;1H/t7-,10+;/m0./s1
InChIKeyXJMCUIRMGYXSBX-XQRIHRDZSA-N
XLogP2.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.14
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-(3-chlorophenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol;hydrochloride
CID 3027654
(1R)-1-(3-chlorophenyl)-2-methylpropan-1-ol
CID 93312224
(1S,2S)-1-(3-chlorophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]propan-1-ol
CID 45039022
(1S,2R)-1-(3-chlorophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]propan-1-ol
CID 45039021
(1S,2S)-1-(3-chlorophenyl)-2-(1-hydroxypropan-2-ylamino)propan-1-ol
CID 101431798
(1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743755
(1R,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743759
(1R,2S)-2-(butylamino)-1-(3-chlorophenyl)propan-1-ol
CID 70902725
1-[[(1S,2R)-1-(3-chlorophenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-2-ol
CID 22943252
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 68629848
copper;(1R,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 90401537
(2R)-1,2-bis(3-chlorophenyl)-N,N'-dimethylethane-1,2-diamine
CID 166838557

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-(3-chlorophenyl)-2-(methylamino)propan-1-ol;hydrochloride?
The IUPAC name of (1S,2S)-1-(3-chlorophenyl)-2-(methylamino)propan-1-ol;hydrochloride (CID 175665348) is (1S,2S)-1-(3-chlorophenyl)-2-(methylamino)propan-1-ol;hydrochloride.
What is the SMILES notation for (1S,2S)-1-(3-chlorophenyl)-2-(methylamino)propan-1-ol;hydrochloride?
The canonical SMILES for (1S,2S)-1-(3-chlorophenyl)-2-(methylamino)propan-1-ol;hydrochloride is CN[C@@H](C)[C@@H](O)c1cccc(Cl)c1.Cl.
What is the InChIKey of (1S,2S)-1-(3-chlorophenyl)-2-(methylamino)propan-1-ol;hydrochloride?
The InChIKey is XJMCUIRMGYXSBX-XQRIHRDZSA-N. The full InChI is InChI=1S/C10H14ClNO.ClH/c1-7(12-2)10(13)8-4-3-5-9(11)6-8;/h3-7,10,12-13H,1-2H3;1H/t7-,10+;/m0./s1.
What are the key properties of (1S,2S)-1-(3-chlorophenyl)-2-(methylamino)propan-1-ol;hydrochloride?
(1S,2S)-1-(3-chlorophenyl)-2-(methylamino)propan-1-ol;hydrochloride has a molecular weight of 236.14 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-(3-chlorophenyl)-2-(methylamino)propan-1-ol;hydrochloride is sourced from PubChem (CID 175665348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).