N-[(3-ethylimidazol-4-yl)methyl]-1-phenylbutan-1-amine

C16H23N3 — CID 66132973

IUPACN-[(3-ethylimidazol-4-yl)methyl]-1-phenylbutan-1-amine
SMILESCCCC(NCc1cncn1CC)c1ccccc1
InChIInChI=1S/C16H23N3/c1-3-8-16(14-9-6-5-7-10-14)18-12-15-11-17-13-19(15)4-2/h5-7,9-11,13,16,18H,3-4,8,12H2,1-2H3
InChIKeyRTJAEXARUQCZTC-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.53
Rot. Bonds7

About N-[(3-ethylimidazol-4-yl)methyl]-1-phenylbutan-1-amine

N-[(3-ethylimidazol-4-yl)methyl]-1-phenylbutan-1-amine (PubChem CID 66132973) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-1-phenylbutan-1-amine
PubChem CID66132973
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-1-phenylbutan-1-amine
SMILESCCCC(NCc1cncn1CC)c1ccccc1
InChIInChI=1S/C16H23N3/c1-3-8-16(14-9-6-5-7-10-14)18-12-15-11-17-13-19(15)4-2/h5-7,9-11,13,16,18H,3-4,8,12H2,1-2H3
InChIKeyRTJAEXARUQCZTC-UHFFFAOYSA-N
XLogP3.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylimidazol-4-yl)methyl]-1-phenylbutan-1-amine
CID 62999017
2-phenyl-2-[(3-propylimidazol-4-yl)methylamino]ethanol
CID 66130986
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
N-[(3-ethylimidazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 66133152
1-phenyl-N-(pyridin-4-ylmethyl)butan-1-amine;hydrochloride
CID 17155648
N-[(3-ethylimidazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 66133621
2-[(3-ethylimidazol-4-yl)methylamino]propan-1-ol
CID 66135627
2-phenyl-2-[(3-propan-2-ylimidazol-4-yl)methylamino]ethanol
CID 66162781
N-[(3-ethylimidazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 66133359
1-N,1-N-diethyl-4-N-[(3-ethylimidazol-4-yl)methyl]pentane-1,4-diamine
CID 66117372
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-phenylhexan-1-amine
CID 103777679
N-[[3-(3-phenylbutyl)imidazol-4-yl]methyl]propan-1-amine
CID 66152003

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-1-phenylbutan-1-amine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-1-phenylbutan-1-amine (CID 66132973) is N-[(3-ethylimidazol-4-yl)methyl]-1-phenylbutan-1-amine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-1-phenylbutan-1-amine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-1-phenylbutan-1-amine is CCCC(NCc1cncn1CC)c1ccccc1.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-1-phenylbutan-1-amine?
The InChIKey is RTJAEXARUQCZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-8-16(14-9-6-5-7-10-14)18-12-15-11-17-13-19(15)4-2/h5-7,9-11,13,16,18H,3-4,8,12H2,1-2H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-1-phenylbutan-1-amine?
N-[(3-ethylimidazol-4-yl)methyl]-1-phenylbutan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 66132973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).