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

C9H11ClN4 — CID 140626433

IUPAC(1R)-3-azido-1-(4-chlorophenyl)propan-1-amine
SMILES[N-]=[N+]=NCC[C@@H](N)c1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN4/c10-8-3-1-7(2-4-8)9(11)5-6-13-14-12/h1-4,9H,5-6,11H2/t9-/m1/s1
InChIKeyOEWBWUPJGOTAAQ-SECBINFHSA-N
MW210.67 g/mol
LogP3.04
Rot. Bonds4

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

(1R)-3-azido-1-(4-chlorophenyl)propan-1-amine (PubChem CID 140626433) has the molecular formula C9H11ClN4 and a molecular weight of 210.67 g/mol. Its IUPAC name is (1R)-3-azido-1-(4-chlorophenyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-3-azido-1-(4-chlorophenyl)propan-1-amine
PubChem CID140626433
Molecular FormulaC9H11ClN4
Molecular Weight210.67 g/mol
Exact Mass210.07
IUPAC Name(1R)-3-azido-1-(4-chlorophenyl)propan-1-amine
SMILES[N-]=[N+]=NCC[C@@H](N)c1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN4/c10-8-3-1-7(2-4-8)9(11)5-6-13-14-12/h1-4,9H,5-6,11H2/t9-/m1/s1
InChIKeyOEWBWUPJGOTAAQ-SECBINFHSA-N
XLogP3.04
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 ≤ 53.04
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'}

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Related Compounds

3-amino-3-(4-chlorophenyl)propan-1-ol
CID 17039435
1-(1-azidopropan-2-yl)-4-chlorobenzene
CID 90211793
1-(4-chlorophenyl)-2-fluoroethanamine
CID 83816513
1-(4-chlorophenyl)-3-methoxypropan-1-amine;hydrochloride
CID 71756127
1-azido-3-(4-chlorophenyl)propan-2-amine
CID 141240691
(2S)-3-azido-2-(4-chlorophenyl)propanenitrile
CID 134956148
(2R)-2-amino-2-(4-chlorophenyl)ethanol;hydrochloride
CID 67033243
(1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 28814207
1-(4-chlorophenyl)-4-methoxybutan-1-amine
CID 62607559
(1S)-1-(4-chlorophenyl)-3-phenoxypropan-1-amine
CID 51889884
1-[4-(4-chlorophenyl)phenyl]ethane-1,2-diamine
CID 170894784
(3R)-4-azido-3-(4-chlorophenyl)butanoic acid
CID 10999111

Frequently Asked Questions

What is the IUPAC name of (1R)-3-azido-1-(4-chlorophenyl)propan-1-amine?
The IUPAC name of (1R)-3-azido-1-(4-chlorophenyl)propan-1-amine (CID 140626433) is (1R)-3-azido-1-(4-chlorophenyl)propan-1-amine.
What is the SMILES notation for (1R)-3-azido-1-(4-chlorophenyl)propan-1-amine?
The canonical SMILES for (1R)-3-azido-1-(4-chlorophenyl)propan-1-amine is [N-]=[N+]=NCC[C@@H](N)c1ccc(Cl)cc1.
What is the InChIKey of (1R)-3-azido-1-(4-chlorophenyl)propan-1-amine?
The InChIKey is OEWBWUPJGOTAAQ-SECBINFHSA-N. The full InChI is InChI=1S/C9H11ClN4/c10-8-3-1-7(2-4-8)9(11)5-6-13-14-12/h1-4,9H,5-6,11H2/t9-/m1/s1.
What are the key properties of (1R)-3-azido-1-(4-chlorophenyl)propan-1-amine?
(1R)-3-azido-1-(4-chlorophenyl)propan-1-amine has a molecular weight of 210.67 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-azido-1-(4-chlorophenyl)propan-1-amine is sourced from PubChem (CID 140626433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).