3-amino-1-(3,4-dichlorophenyl)propan-1-ol;hydrochloride

C9H12Cl3NO — CID 140626356

IUPAC3-amino-1-(3,4-dichlorophenyl)propan-1-ol;hydrochloride
SMILESCl.NCCC(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H11Cl2NO.ClH/c10-7-2-1-6(5-8(7)11)9(13)3-4-12;/h1-2,5,9,13H,3-4,12H2;1H
InChIKeyBIJYWFCMROHYAM-UHFFFAOYSA-N
MW256.56 g/mol
LogP2.80
Rot. Bonds3

About 3-amino-1-(3,4-dichlorophenyl)propan-1-ol;hydrochloride

3-amino-1-(3,4-dichlorophenyl)propan-1-ol;hydrochloride (PubChem CID 140626356) has the molecular formula C9H12Cl3NO and a molecular weight of 256.56 g/mol. Its IUPAC name is 3-amino-1-(3,4-dichlorophenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-1-(3,4-dichlorophenyl)propan-1-ol;hydrochloride
PubChem CID140626356
Molecular FormulaC9H12Cl3NO
Molecular Weight256.56 g/mol
Exact Mass255.00
IUPAC Name3-amino-1-(3,4-dichlorophenyl)propan-1-ol;hydrochloride
SMILESCl.NCCC(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H11Cl2NO.ClH/c10-7-2-1-6(5-8(7)11)9(13)3-4-12;/h1-2,5,9,13H,3-4,12H2;1H
InChIKeyBIJYWFCMROHYAM-UHFFFAOYSA-N
XLogP2.80
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.56
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-3-amino-1-(3-chloro-4-fluorophenyl)propan-1-ol
CID 96845808
(1S)-1-(3,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171220884
3-amino-1-(4-chloro-3-methoxyphenyl)propan-1-ol
CID 84784431
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)ethanol
CID 61080644
5-amino-3-(3,4-dichlorophenyl)pentan-2-one
CID 142270867
5-(3-amino-1-hydroxypropyl)-2-fluorophenol
CID 84769630
(1S)-2-amino-1-(4-chloro-3-methylphenyl)ethanol
CID 95944344
3-amino-1-naphthalen-2-ylpropan-1-ol
CID 65184856
(1S)-1-(4-chloro-3-fluorophenyl)propane-1,3-diol
CID 86696659
(4S)-4-(3,4-dichlorophenyl)-4-hydroxybutan-2-one
CID 101046383
(4R)-6-amino-4-(3,4-dichlorophenyl)-2-methylhexan-3-one
CID 155260604
(1S)-3-amino-1-phenylpropan-1-ol;hydrochloride
CID 71743708

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,4-dichlorophenyl)propan-1-ol;hydrochloride?
The IUPAC name of 3-amino-1-(3,4-dichlorophenyl)propan-1-ol;hydrochloride (CID 140626356) is 3-amino-1-(3,4-dichlorophenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for 3-amino-1-(3,4-dichlorophenyl)propan-1-ol;hydrochloride?
The canonical SMILES for 3-amino-1-(3,4-dichlorophenyl)propan-1-ol;hydrochloride is Cl.NCCC(O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-amino-1-(3,4-dichlorophenyl)propan-1-ol;hydrochloride?
The InChIKey is BIJYWFCMROHYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO.ClH/c10-7-2-1-6(5-8(7)11)9(13)3-4-12;/h1-2,5,9,13H,3-4,12H2;1H.
What are the key properties of 3-amino-1-(3,4-dichlorophenyl)propan-1-ol;hydrochloride?
3-amino-1-(3,4-dichlorophenyl)propan-1-ol;hydrochloride has a molecular weight of 256.56 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,4-dichlorophenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 140626356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).