N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbutan-1-amine

C15H21N3 — CID 10377137

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbutan-1-amine
SMILESc1ccc(CCCCNCCc2cnc[nH]2)cc1
InChIInChI=1S/C15H21N3/c1-2-6-14(7-3-1)8-4-5-10-16-11-9-15-12-17-13-18-15/h1-3,6-7,12-13,16H,4-5,8-11H2,(H,17,18)
InChIKeyIENIYZRAOVYTDS-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.56
Rot. Bonds8

About N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbutan-1-amine

N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbutan-1-amine (PubChem CID 10377137) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbutan-1-amine
PubChem CID10377137
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbutan-1-amine
SMILESc1ccc(CCCCNCCc2cnc[nH]2)cc1
InChIInChI=1S/C15H21N3/c1-2-6-14(7-3-1)8-4-5-10-16-11-9-15-12-17-13-18-15/h1-3,6-7,12-13,16H,4-5,8-11H2,(H,17,18)
InChIKeyIENIYZRAOVYTDS-UHFFFAOYSA-N
XLogP2.56
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine
CID 11820597
5-(3-phenylpropyl)-1H-imidazole
CID 10035345
N-benzyl-5-[2-(1H-imidazol-5-yl)ethylamino]pentanamide
CID 24755417
5-[3-(3-phenylpropylsulfinyl)propyl]-1H-imidazole
CID 10850088
N'-[2-(1H-imidazol-5-yl)ethyl]-N-methylethane-1,2-diamine
CID 102056012
N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-2-(1H-imidazol-5-yl)ethanamine
CID 11741669
2-(1H-imidazol-5-yl)-N-(naphthalen-2-ylmethyl)ethanamine
CID 65230734
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
N,N'-bis(2-phenylethyl)octane-1,8-diamine;dihydrobromide
CID 3029610
N,N'-bis(2-phenylethyl)heptane-1,7-diamine;dihydrobromide
CID 3028511
N-(fluoromethyl)-2-(1H-imidazol-5-yl)ethanamine;hydrochloride
CID 70625954
(Z)-1-N-ethyl-5-(1H-imidazol-5-yl)pent-1-ene-1,2-diamine;N-(3-phenylpropyl)formamide
CID 143882857

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbutan-1-amine?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbutan-1-amine (CID 10377137) is N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbutan-1-amine.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbutan-1-amine?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbutan-1-amine is c1ccc(CCCCNCCc2cnc[nH]2)cc1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbutan-1-amine?
The InChIKey is IENIYZRAOVYTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-6-14(7-3-1)8-4-5-10-16-11-9-15-12-17-13-18-15/h1-3,6-7,12-13,16H,4-5,8-11H2,(H,17,18).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbutan-1-amine?
N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbutan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbutan-1-amine is sourced from PubChem (CID 10377137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).