3-amino-2-(4-chlorophenyl)propan-1-ol

C9H12ClNO — CID 67926367

IUPAC3-amino-2-(4-chlorophenyl)propan-1-ol
SMILESNCC(CO)c1ccc(Cl)cc1
InChIInChI=1S/C9H12ClNO/c10-9-3-1-7(2-4-9)8(5-11)6-12/h1-4,8,12H,5-6,11H2
InChIKeyHNSXASSJRSGBHZ-UHFFFAOYSA-N
MW185.65 g/mol
LogP1.37
Rot. Bonds3

About 3-amino-2-(4-chlorophenyl)propan-1-ol

3-amino-2-(4-chlorophenyl)propan-1-ol (PubChem CID 67926367) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 3-amino-2-(4-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-chlorophenyl)propan-1-ol
PubChem CID67926367
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name3-amino-2-(4-chlorophenyl)propan-1-ol
SMILESNCC(CO)c1ccc(Cl)cc1
InChIInChI=1S/C9H12ClNO/c10-9-3-1-7(2-4-9)8(5-11)6-12/h1-4,8,12H,5-6,11H2
InChIKeyHNSXASSJRSGBHZ-UHFFFAOYSA-N
XLogP1.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(4-aminophenyl)propan-1-ol
CID 131676348
2-(4-chlorophenyl)butane-1,4-diamine
CID 82076304
(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol
CID 46911819
(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol;hydrochloride
CID 91810279
3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
CID 119031530
(2S)-3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 46911827
3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 75251632
3-amino-2-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 63215999
2-(4-chlorophenyl)-3-methoxypropan-1-ol
CID 103985044
2-(4-chlorophenyl)-3-trimethylsilylpropan-1-amine
CID 106323760
2-(4-chlorophenyl)-5-methylhexan-1-amine
CID 67949275
(2S,3R)-2,3-dichloro-3-(4-chlorophenyl)propan-1-ol
CID 53356260

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-chlorophenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(4-chlorophenyl)propan-1-ol (CID 67926367) is 3-amino-2-(4-chlorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(4-chlorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(4-chlorophenyl)propan-1-ol is NCC(CO)c1ccc(Cl)cc1.
What is the InChIKey of 3-amino-2-(4-chlorophenyl)propan-1-ol?
The InChIKey is HNSXASSJRSGBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c10-9-3-1-7(2-4-9)8(5-11)6-12/h1-4,8,12H,5-6,11H2.
What are the key properties of 3-amino-2-(4-chlorophenyl)propan-1-ol?
3-amino-2-(4-chlorophenyl)propan-1-ol has a molecular weight of 185.65 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-chlorophenyl)propan-1-ol is sourced from PubChem (CID 67926367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).