N-ethyl-1-(1-methylimidazol-2-yl)-5-phenylpentan-2-amine

C17H25N3 — CID 105167284

IUPACN-ethyl-1-(1-methylimidazol-2-yl)-5-phenylpentan-2-amine
SMILESCCNC(CCCc1ccccc1)Cc1nccn1C
InChIInChI=1S/C17H25N3/c1-3-18-16(14-17-19-12-13-20(17)2)11-7-10-15-8-5-4-6-9-15/h4-6,8-9,12-13,16,18H,3,7,10-11,14H2,1-2H3
InChIKeyPFTNVEBTEVJTKG-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.96
Rot. Bonds8

About N-ethyl-1-(1-methylimidazol-2-yl)-5-phenylpentan-2-amine

N-ethyl-1-(1-methylimidazol-2-yl)-5-phenylpentan-2-amine (PubChem CID 105167284) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-ethyl-1-(1-methylimidazol-2-yl)-5-phenylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methylimidazol-2-yl)-5-phenylpentan-2-amine
PubChem CID105167284
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-ethyl-1-(1-methylimidazol-2-yl)-5-phenylpentan-2-amine
SMILESCCNC(CCCc1ccccc1)Cc1nccn1C
InChIInChI=1S/C17H25N3/c1-3-18-16(14-17-19-12-13-20(17)2)11-7-10-15-8-5-4-6-9-15/h4-6,8-9,12-13,16,18H,3,7,10-11,14H2,1-2H3
InChIKeyPFTNVEBTEVJTKG-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(1-ethylimidazol-2-yl)-5-phenylpentan-2-amine
CID 105165971
[1-(1-methylimidazol-2-yl)-3-phenylpropan-2-yl]hydrazine
CID 105195404
N-methyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-2-amine
CID 79752421
N-ethyl-1-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
CID 114530047
N-ethyl-1-methoxy-5-(1-methylimidazol-2-yl)pentan-2-amine
CID 114528660
N-ethyl-1-(2-methoxyphenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
CID 114530024
N-ethyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-1-amine
CID 63974955
1-(4-bromophenyl)-N-ethyl-5-phenylpentan-2-amine
CID 63412898
1-ethoxy-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79761877
N-[2-(1-methylimidazol-2-yl)ethyl]-4-phenylbutan-2-amine
CID 61213282
N-ethyl-5-(1-methylimidazol-2-yl)pentan-2-amine
CID 79761819
N-ethyl-1-(1-methylimidazol-2-yl)-3-propan-2-yloxypropan-2-amine
CID 105167249

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methylimidazol-2-yl)-5-phenylpentan-2-amine?
The IUPAC name of N-ethyl-1-(1-methylimidazol-2-yl)-5-phenylpentan-2-amine (CID 105167284) is N-ethyl-1-(1-methylimidazol-2-yl)-5-phenylpentan-2-amine.
What is the SMILES notation for N-ethyl-1-(1-methylimidazol-2-yl)-5-phenylpentan-2-amine?
The canonical SMILES for N-ethyl-1-(1-methylimidazol-2-yl)-5-phenylpentan-2-amine is CCNC(CCCc1ccccc1)Cc1nccn1C.
What is the InChIKey of N-ethyl-1-(1-methylimidazol-2-yl)-5-phenylpentan-2-amine?
The InChIKey is PFTNVEBTEVJTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-18-16(14-17-19-12-13-20(17)2)11-7-10-15-8-5-4-6-9-15/h4-6,8-9,12-13,16,18H,3,7,10-11,14H2,1-2H3.
What are the key properties of N-ethyl-1-(1-methylimidazol-2-yl)-5-phenylpentan-2-amine?
N-ethyl-1-(1-methylimidazol-2-yl)-5-phenylpentan-2-amine has a molecular weight of 271.41 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methylimidazol-2-yl)-5-phenylpentan-2-amine is sourced from PubChem (CID 105167284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).