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

C9H12ClNO — CID 17039435

IUPAC3-amino-3-(4-chlorophenyl)propan-1-ol
SMILESNC(CCO)c1ccc(Cl)cc1
InChIInChI=1S/C9H12ClNO/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-4,9,12H,5-6,11H2
InChIKeyJGNACDMQJLVKIU-UHFFFAOYSA-N
MW185.65 g/mol
LogP1.72
Rot. Bonds3

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

3-amino-3-(4-chlorophenyl)propan-1-ol (PubChem CID 17039435) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 3-amino-3-(4-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(4-chlorophenyl)propan-1-ol
PubChem CID17039435
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name3-amino-3-(4-chlorophenyl)propan-1-ol
SMILESNC(CCO)c1ccc(Cl)cc1
InChIInChI=1S/C9H12ClNO/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-4,9,12H,5-6,11H2
InChIKeyJGNACDMQJLVKIU-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(3R)-3-amino-3-(4-aminophenyl)propan-1-ol
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(3R)-3-amino-3-(3,5-dichlorophenyl)propan-1-ol;hydrochloride
CID 171202547
1-(4-chlorophenyl)-3-methoxypropan-1-amine;hydrochloride
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4-[(1R)-1-amino-3-hydroxypropyl]-2-chlorophenol
CID 130691653
(3S)-3-amino-3-(3,4-difluorophenyl)propan-1-ol;hydrochloride
CID 171229659
3-amino-3-(4-chloro-3-fluorophenyl)propan-1-ol;hydrochloride
CID 170874594
5-[(1S)-1-amino-3-hydroxypropyl]-2-fluorophenol
CID 55270722
1-(4-chlorophenyl)-2-fluoroethanamine
CID 83816513
3-amino-3-[4-(4-methylphenyl)phenyl]propan-1-ol;hydrochloride
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3-amino-3-(4-phenylphenyl)propan-1-ol;hydrochloride
CID 170874439

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-chlorophenyl)propan-1-ol?
The IUPAC name of 3-amino-3-(4-chlorophenyl)propan-1-ol (CID 17039435) is 3-amino-3-(4-chlorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(4-chlorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-3-(4-chlorophenyl)propan-1-ol is NC(CCO)c1ccc(Cl)cc1.
What is the InChIKey of 3-amino-3-(4-chlorophenyl)propan-1-ol?
The InChIKey is JGNACDMQJLVKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-4,9,12H,5-6,11H2.
What are the key properties of 3-amino-3-(4-chlorophenyl)propan-1-ol?
3-amino-3-(4-chlorophenyl)propan-1-ol has a molecular weight of 185.65 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-chlorophenyl)propan-1-ol is sourced from PubChem (CID 17039435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).