1-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylpropan-2-amine

C15H20ClN3 — CID 65025528

IUPAC1-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylpropan-2-amine
SMILESClCC(Cc1ccccc1)NCCCn1ccnc1
InChIInChI=1S/C15H20ClN3/c16-12-15(11-14-5-2-1-3-6-14)18-7-4-9-19-10-8-17-13-19/h1-3,5-6,8,10,13,15,18H,4,7,9,11-12H2
InChIKeyAXEUGKUQCXRPIP-UHFFFAOYSA-N
MW277.80 g/mol
LogP2.71
Rot. Bonds8

About 1-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylpropan-2-amine

1-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylpropan-2-amine (PubChem CID 65025528) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylpropan-2-amine.

Molecular Properties

Compound Name1-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylpropan-2-amine
PubChem CID65025528
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name1-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylpropan-2-amine
SMILESClCC(Cc1ccccc1)NCCCn1ccnc1
InChIInChI=1S/C15H20ClN3/c16-12-15(11-14-5-2-1-3-6-14)18-7-4-9-19-10-8-17-13-19/h1-3,5-6,8,10,13,15,18H,4,7,9,11-12H2
InChIKeyAXEUGKUQCXRPIP-UHFFFAOYSA-N
XLogP2.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylpropan-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-chloro-3-phenyl-N-(3-phenylpropyl)propan-2-amine
CID 65025981
1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)propan-2-amine
CID 57069299
(2S)-2-amino-N-(3-imidazol-1-ylpropyl)-3-phenylpropanamide
CID 28994199
N-(1-chloro-3-phenylpropan-2-yl)octan-1-amine
CID 65026152
1-(8-phenyloctyl)imidazole
CID 102394184
2-benzyl-6-imidazol-1-ylhexanoic acid
CID 70440938
(2S)-N-(3-imidazol-1-ylpropyl)-1-(2-methylphenyl)propan-2-amine
CID 97228959
1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)thiourea
CID 4832222
N-[1-(2-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine
CID 43126802
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-imidazol-1-ylpropanamide
CID 102673648
1-chloro-N-[(1-methylpyrazol-3-yl)methyl]-3-phenylpropan-2-amine
CID 82872231
2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide
CID 61325742

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylpropan-2-amine?
The IUPAC name of 1-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylpropan-2-amine (CID 65025528) is 1-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylpropan-2-amine.
What is the SMILES notation for 1-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylpropan-2-amine?
The canonical SMILES for 1-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylpropan-2-amine is ClCC(Cc1ccccc1)NCCCn1ccnc1.
What is the InChIKey of 1-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylpropan-2-amine?
The InChIKey is AXEUGKUQCXRPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c16-12-15(11-14-5-2-1-3-6-14)18-7-4-9-19-10-8-17-13-19/h1-3,5-6,8,10,13,15,18H,4,7,9,11-12H2.
What are the key properties of 1-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylpropan-2-amine?
1-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylpropan-2-amine has a molecular weight of 277.80 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylpropan-2-amine is sourced from PubChem (CID 65025528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).