1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)propan-2-amine

C15H20ClN3 — CID 57069299

IUPAC1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)propan-2-amine
SMILESCC(Cc1ccc(Cl)cc1)NCCCn1ccnc1
InChIInChI=1S/C15H20ClN3/c1-13(11-14-3-5-15(16)6-4-14)18-7-2-9-19-10-8-17-12-19/h3-6,8,10,12-13,18H,2,7,9,11H2,1H3
InChIKeyLBKCPGHJIVRAQG-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.15
Rot. Bonds7

About 1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)propan-2-amine

1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)propan-2-amine (PubChem CID 57069299) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)propan-2-amine
PubChem CID57069299
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)propan-2-amine
SMILESCC(Cc1ccc(Cl)cc1)NCCCn1ccnc1
InChIInChI=1S/C15H20ClN3/c1-13(11-14-3-5-15(16)6-4-14)18-7-2-9-19-10-8-17-12-19/h3-6,8,10,12-13,18H,2,7,9,11H2,1H3
InChIKeyLBKCPGHJIVRAQG-UHFFFAOYSA-N
XLogP3.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(3-imidazol-1-ylpropyl)-1-(2-methylphenyl)propan-2-amine
CID 97228959
(2R)-N-(3-imidazol-1-ylpropyl)-1-methoxypropan-2-amine
CID 94210912
N-[(4-chlorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine;dihydrochloride
CID 19429491
1-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylpropan-2-amine
CID 65025528
N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine;dihydrochloride
CID 19429517
N-[1-(2-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine
CID 43126802
4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)butan-2-amine
CID 43478949
2-(4-chlorophenyl)-N-(4-imidazol-1-ylbutyl)ethanesulfonamide
CID 140993558
N-(2-imidazol-1-ylethyl)-4-methylpentan-2-amine
CID 61326124
1-(4-chlorophenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
CID 103911360
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 17155316
N-[1-(4-chlorophenyl)propan-2-yl]-4-methoxybutan-1-amine
CID 103910375

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)propan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)propan-2-amine (CID 57069299) is 1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)propan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)propan-2-amine is CC(Cc1ccc(Cl)cc1)NCCCn1ccnc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)propan-2-amine?
The InChIKey is LBKCPGHJIVRAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-13(11-14-3-5-15(16)6-4-14)18-7-2-9-19-10-8-17-12-19/h3-6,8,10,12-13,18H,2,7,9,11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)propan-2-amine?
1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)propan-2-amine has a molecular weight of 277.80 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)propan-2-amine is sourced from PubChem (CID 57069299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).