1-(4-butylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine

C17H25N3 — CID 65230971

IUPAC1-(4-butylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
SMILESCCCCc1ccc(C(C)NCCc2cnc[nH]2)cc1
InChIInChI=1S/C17H25N3/c1-3-4-5-15-6-8-16(9-7-15)14(2)19-11-10-17-12-18-13-20-17/h6-9,12-14,19H,3-5,10-11H2,1-2H3,(H,18,20)
InChIKeyNWUZECYHNLAQLQ-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.65
Rot. Bonds8

About 1-(4-butylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine

1-(4-butylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine (PubChem CID 65230971) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-(4-butylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-butylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
PubChem CID65230971
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-(4-butylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
SMILESCCCCc1ccc(C(C)NCCc2cnc[nH]2)cc1
InChIInChI=1S/C17H25N3/c1-3-4-5-15-6-8-16(9-7-15)14(2)19-11-10-17-12-18-13-20-17/h6-9,12-14,19H,3-5,10-11H2,1-2H3,(H,18,20)
InChIKeyNWUZECYHNLAQLQ-UHFFFAOYSA-N
XLogP3.65
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 65230680
1-(4-butylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60903436
N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 65230871
N-[2-(1H-imidazol-5-yl)ethyl]octan-2-amine
CID 65232388
1-(4-butylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204866
N-[1-(4-butylphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 63478035
1-[1-(4-butylphenyl)ethylamino]pentan-3-ol
CID 115729098
N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine
CID 63477867
1-(4-butylphenyl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43515376
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 65231921
N-[2-[1-(4-butylphenyl)ethylamino]ethyl]methanesulfonamide
CID 43208219
N-(1H-imidazol-5-ylmethyl)-4-pentylaniline
CID 55109450

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine?
The IUPAC name of 1-(4-butylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine (CID 65230971) is 1-(4-butylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-butylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 1-(4-butylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine is CCCCc1ccc(C(C)NCCc2cnc[nH]2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine?
The InChIKey is NWUZECYHNLAQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-4-5-15-6-8-16(9-7-15)14(2)19-11-10-17-12-18-13-20-17/h6-9,12-14,19H,3-5,10-11H2,1-2H3,(H,18,20).
What are the key properties of 1-(4-butylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine?
1-(4-butylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine has a molecular weight of 271.41 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 65230971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).