1-azido-3-(4-chlorophenyl)propan-2-amine

C9H11ClN4 — CID 141240691

IUPAC1-azido-3-(4-chlorophenyl)propan-2-amine
SMILES[N-]=[N+]=NCC(N)Cc1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN4/c10-8-3-1-7(2-4-8)5-9(11)6-13-14-12/h1-4,9H,5-6,11H2
InChIKeyQJJWXDAJJMGYFU-UHFFFAOYSA-N
MW210.67 g/mol
LogP2.52
Rot. Bonds4

About 1-azido-3-(4-chlorophenyl)propan-2-amine

1-azido-3-(4-chlorophenyl)propan-2-amine (PubChem CID 141240691) has the molecular formula C9H11ClN4 and a molecular weight of 210.67 g/mol. Its IUPAC name is 1-azido-3-(4-chlorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-azido-3-(4-chlorophenyl)propan-2-amine
PubChem CID141240691
Molecular FormulaC9H11ClN4
Molecular Weight210.67 g/mol
Exact Mass210.07
IUPAC Name1-azido-3-(4-chlorophenyl)propan-2-amine
SMILES[N-]=[N+]=NCC(N)Cc1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN4/c10-8-3-1-7(2-4-8)5-9(11)6-13-14-12/h1-4,9H,5-6,11H2
InChIKeyQJJWXDAJJMGYFU-UHFFFAOYSA-N
XLogP2.52
TPSA74.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.67
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 1-azido-3-(4-chlorophenyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-azido-3-(4-methoxyphenyl)propan-2-amine
CID 22054877
2-amino-N-[4-[(2S)-2-amino-3-azidopropyl]phenyl]acetamide
CID 146248075
1-(4-chlorophenyl)pentan-2-amine
CID 60820343
(1R)-3-azido-1-(4-chlorophenyl)propan-1-amine
CID 140626433
3-(4-chlorophenyl)-1,1-difluoropropan-2-amine
CID 84673763
1-(4-chlorophenyl)propan-2-amine
CID 3127
(2S)-3-azido-2-(4-chlorophenyl)propanenitrile
CID 134956148
(2S)-3-(4-chlorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride
CID 67153399
6-azido-2-[(4-chlorophenyl)methyl]hexanoic acid
CID 102309182
1-(4-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 114931762
1-(2-azidoethylsulfanylmethyl)-4-chlorobenzene
CID 114791406
[3-azido-2-(azidomethyl)propyl]benzene
CID 15477707

Frequently Asked Questions

What is the IUPAC name of 1-azido-3-(4-chlorophenyl)propan-2-amine?
The IUPAC name of 1-azido-3-(4-chlorophenyl)propan-2-amine (CID 141240691) is 1-azido-3-(4-chlorophenyl)propan-2-amine.
What is the SMILES notation for 1-azido-3-(4-chlorophenyl)propan-2-amine?
The canonical SMILES for 1-azido-3-(4-chlorophenyl)propan-2-amine is [N-]=[N+]=NCC(N)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-azido-3-(4-chlorophenyl)propan-2-amine?
The InChIKey is QJJWXDAJJMGYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4/c10-8-3-1-7(2-4-8)5-9(11)6-13-14-12/h1-4,9H,5-6,11H2.
What are the key properties of 1-azido-3-(4-chlorophenyl)propan-2-amine?
1-azido-3-(4-chlorophenyl)propan-2-amine has a molecular weight of 210.67 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-3-(4-chlorophenyl)propan-2-amine is sourced from PubChem (CID 141240691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).