1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-amine

C15H21N3 — CID 79751475

IUPAC1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-amine
SMILESCCn1ccnc1CC(N)CCc1ccccc1
InChIInChI=1S/C15H21N3/c1-2-18-11-10-17-15(18)12-14(16)9-8-13-6-4-3-5-7-13/h3-7,10-11,14H,2,8-9,12,16H2,1H3
InChIKeyLUAJQNXNFLIFNW-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.41
Rot. Bonds6

About 1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-amine

1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-amine (PubChem CID 79751475) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-amine.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-amine
PubChem CID79751475
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-amine
SMILESCCn1ccnc1CC(N)CCc1ccccc1
InChIInChI=1S/C15H21N3/c1-2-18-11-10-17-15(18)12-14(16)9-8-13-6-4-3-5-7-13/h3-7,10-11,14H,2,8-9,12,16H2,1H3
InChIKeyLUAJQNXNFLIFNW-UHFFFAOYSA-N
XLogP2.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylimidazol-2-yl)undecan-2-amine
CID 105009322
N-ethyl-1-(1-ethylimidazol-2-yl)-5-phenylpentan-2-amine
CID 105165971
[1-(1-ethylimidazol-2-yl)-4-pyridin-4-ylbutan-2-yl]hydrazine
CID 105321916
4-cyclopentyl-1-(1-ethylimidazol-2-yl)butan-2-amine
CID 105009415
(2R)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 92763393
3-ethyl-1-(1-ethylimidazol-2-yl)-3-phenylpentan-2-amine
CID 79752293
N-methyl-4-phenyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79751946
2-(1-ethylimidazol-2-yl)-1-(2-methylphenyl)ethanamine
CID 79751911
1-(1-ethylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol
CID 105112400
4-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]butan-2-amine
CID 62737524
1,4-diphenylbutan-2-amine
CID 60820174
1-(1-ethylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 79760461

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-amine?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-amine (CID 79751475) is 1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-amine.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-amine?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-amine is CCn1ccnc1CC(N)CCc1ccccc1.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-amine?
The InChIKey is LUAJQNXNFLIFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-18-11-10-17-15(18)12-14(16)9-8-13-6-4-3-5-7-13/h3-7,10-11,14H,2,8-9,12,16H2,1H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-amine?
1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-amine is sourced from PubChem (CID 79751475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).