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

C9H12ClNO — CID 55269428

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

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

3-amino-1-(4-chlorophenyl)propan-1-ol (PubChem CID 55269428) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 3-amino-1-(4-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-chlorophenyl)propan-1-ol
PubChem CID55269428
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name3-amino-1-(4-chlorophenyl)propan-1-ol
SMILESNCCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C9H12ClNO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4,9,12H,5-6,11H2
InChIKeyFTHYUAUIYICAPG-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

Phenylethanolamine
CID 1000
4-(4-Chlorophenyl)-4-hydroxypiperidine
CID 38282
Benzenemethanol, 4-chloro-alpha-methyl-
CID 18825
(R)-(-)-2-Amino-1-phenylethanol
CID 6951165
(1S)-2-amino-1-phenylethan-1-ol
CID 643217
Benzenemethanol, 4-chloro-alpha-(1-methylethyl)-
CID 202426
alpha-(Aminomethyl)-3,4-dichlorobenzenemethanol
CID 19349
4-Chloro-alpha-ethylbenzenemethanol
CID 83774
1-(4-Chlorophenyl)ethane-1,2-diol
CID 101107
(R)-1-(4-chlorophenyl)-1-propanol
CID 10080818
1-(4-Chlorophenyl)-2-(1-methylhydrazino)ethanol
CID 21361104
Benzenemethanol, 3,4-dichloro-alpha-((methylamino)methyl)-
CID 6451330

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-chlorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(4-chlorophenyl)propan-1-ol (CID 55269428) is 3-amino-1-(4-chlorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(4-chlorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(4-chlorophenyl)propan-1-ol is NCCC(O)c1ccc(Cl)cc1.
What is the InChIKey of 3-amino-1-(4-chlorophenyl)propan-1-ol?
The InChIKey is FTHYUAUIYICAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4,9,12H,5-6,11H2.
What are the key properties of 3-amino-1-(4-chlorophenyl)propan-1-ol?
3-amino-1-(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-1-(4-chlorophenyl)propan-1-ol is sourced from PubChem (CID 55269428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).