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

C9H12ClNO — CID 68900643

IUPAC1-amino-3-(4-chlorophenyl)propan-1-ol
SMILESNC(O)CCc1ccc(Cl)cc1
InChIInChI=1S/C9H12ClNO/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,9,12H,3,6,11H2
InChIKeyKWRCZWFQXZKTKU-UHFFFAOYSA-N
MW185.65 g/mol
LogP1.55
Rot. Bonds3

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

1-amino-3-(4-chlorophenyl)propan-1-ol (PubChem CID 68900643) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 1-amino-3-(4-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name1-amino-3-(4-chlorophenyl)propan-1-ol
PubChem CID68900643
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name1-amino-3-(4-chlorophenyl)propan-1-ol
SMILESNC(O)CCc1ccc(Cl)cc1
InChIInChI=1S/C9H12ClNO/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,9,12H,3,6,11H2
InChIKeyKWRCZWFQXZKTKU-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(3-amino-3-hydroxypropyl)phenol
CID 57225186
4-[4-(4-chlorophenyl)phenyl]butan-2-amine
CID 82541976
1-(4-chlorophenyl)hexan-3-amine
CID 43370464
(2S)-2-amino-4-[4-(4-chloroanilino)phenyl]butan-1-ol
CID 67502477
ethyl (2S)-4-(4-chlorophenyl)-2-hydroxybutanoate
CID 101370684
4-(4-chlorophenyl)-1-methoxybutan-2-amine
CID 62321130
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575
1-(4-chlorophenyl)propan-2-amine
CID 3127
(3S)-3-amino-6-(4-chlorophenyl)hexanoic acid
CID 58633540
[3-(4-chlorophenyl)-1-hydroxypropyl] methanesulfonate
CID 22562273
2-[2-(4-chlorophenyl)ethyl]-4-phenylbutanoic acid
CID 70553032
3-chloro-5-(4-chlorophenyl)pentanoic acid
CID 22472002

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-chlorophenyl)propan-1-ol?
The IUPAC name of 1-amino-3-(4-chlorophenyl)propan-1-ol (CID 68900643) is 1-amino-3-(4-chlorophenyl)propan-1-ol.
What is the SMILES notation for 1-amino-3-(4-chlorophenyl)propan-1-ol?
The canonical SMILES for 1-amino-3-(4-chlorophenyl)propan-1-ol is NC(O)CCc1ccc(Cl)cc1.
What is the InChIKey of 1-amino-3-(4-chlorophenyl)propan-1-ol?
The InChIKey is KWRCZWFQXZKTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,9,12H,3,6,11H2.
What are the key properties of 1-amino-3-(4-chlorophenyl)propan-1-ol?
1-amino-3-(4-chlorophenyl)propan-1-ol has a molecular weight of 185.65 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-chlorophenyl)propan-1-ol is sourced from PubChem (CID 68900643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).