N-[1-[4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine

C17H25N3 — CID 63975816

IUPACN-[1-[4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-c2nccn2CCC)cc1
InChIInChI=1S/C17H25N3/c1-4-10-18-14(3)15-6-8-16(9-7-15)17-19-11-13-20(17)12-5-2/h6-9,11,13-14,18H,4-5,10,12H2,1-3H3
InChIKeyQBYRRGROPAUPBB-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.02
Rot. Bonds7

About N-[1-[4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine

N-[1-[4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine (PubChem CID 63975816) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[1-[4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine
PubChem CID63975816
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[1-[4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-c2nccn2CCC)cc1
InChIInChI=1S/C17H25N3/c1-4-10-18-14(3)15-6-8-16(9-7-15)17-19-11-13-20(17)12-5-2/h6-9,11,13-14,18H,4-5,10,12H2,1-3H3
InChIKeyQBYRRGROPAUPBB-UHFFFAOYSA-N
XLogP4.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-1-[4-(1-propylimidazol-2-yl)phenyl]propan-1-amine
CID 63976027
N-[1-[2-chloro-4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine
CID 82772140
N-[[4-(1-propylimidazol-2-yl)phenyl]methyl]propan-2-amine
CID 63975815
N-[1-(4-chlorophenyl)ethyl]-3-(2-phenylimidazol-1-yl)propan-1-amine;hydrate;dihydrochloride
CID 19429407
4-(1-propylimidazol-2-yl)benzaldehyde
CID 63975190
(1R)-1-(4-chlorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81353111
N-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]propan-2-amine
CID 63975608
N-[(3,4-dimethylphenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61317745
1-(4-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 66243851
N-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]ethanamine
CID 82558989
N-[[2-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]propan-1-amine
CID 63975615
N-[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61318759

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine (CID 63975816) is N-[1-[4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(-c2nccn2CCC)cc1.
What is the InChIKey of N-[1-[4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine?
The InChIKey is QBYRRGROPAUPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-10-18-14(3)15-6-8-16(9-7-15)17-19-11-13-20(17)12-5-2/h6-9,11,13-14,18H,4-5,10,12H2,1-3H3.
What are the key properties of N-[1-[4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine?
N-[1-[4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 63975816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).