N-methyl-4-phenyl-1-(1-propylimidazol-2-yl)butan-2-amine

C17H25N3 — CID 79751946

IUPACN-methyl-4-phenyl-1-(1-propylimidazol-2-yl)butan-2-amine
SMILESCCCn1ccnc1CC(CCc1ccccc1)NC
InChIInChI=1S/C17H25N3/c1-3-12-20-13-11-19-17(20)14-16(18-2)10-9-15-7-5-4-6-8-15/h4-8,11,13,16,18H,3,9-10,12,14H2,1-2H3
InChIKeyQUCCEUIYYMTKFM-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.06
Rot. Bonds8

About N-methyl-4-phenyl-1-(1-propylimidazol-2-yl)butan-2-amine

N-methyl-4-phenyl-1-(1-propylimidazol-2-yl)butan-2-amine (PubChem CID 79751946) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-methyl-4-phenyl-1-(1-propylimidazol-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-4-phenyl-1-(1-propylimidazol-2-yl)butan-2-amine
PubChem CID79751946
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-methyl-4-phenyl-1-(1-propylimidazol-2-yl)butan-2-amine
SMILESCCCn1ccnc1CC(CCc1ccccc1)NC
InChIInChI=1S/C17H25N3/c1-3-12-20-13-11-19-17(20)14-16(18-2)10-9-15-7-5-4-6-8-15/h4-8,11,13,16,18H,3,9-10,12,14H2,1-2H3
InChIKeyQUCCEUIYYMTKFM-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-methylphenyl)-1-(1-propylimidazol-2-yl)butan-2-yl]hydrazine
CID 105323315
N,4-dimethyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79752057
N-ethyl-1-phenoxy-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79751880
1-(4-chlorophenoxy)-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 105167751
N-methyl-2-phenyl-3-(1-propylimidazol-2-yl)propan-1-amine
CID 81023984
N-methyl-1-(1-methylimidazol-2-yl)-4-(4-methylphenyl)butan-2-amine
CID 105167031
1-decyl-2-(2,4-diphenylbutyl)imidazole
CID 69388019
N-methyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-2-amine
CID 79752421
N-ethyl-1-(1-ethylimidazol-2-yl)-5-phenylpentan-2-amine
CID 105165971
1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-amine
CID 79751475
N-methyl-1,4-diphenylbutan-2-amine
CID 57128066
1-(4-chlorophenyl)sulfanyl-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79752060

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenyl-1-(1-propylimidazol-2-yl)butan-2-amine?
The IUPAC name of N-methyl-4-phenyl-1-(1-propylimidazol-2-yl)butan-2-amine (CID 79751946) is N-methyl-4-phenyl-1-(1-propylimidazol-2-yl)butan-2-amine.
What is the SMILES notation for N-methyl-4-phenyl-1-(1-propylimidazol-2-yl)butan-2-amine?
The canonical SMILES for N-methyl-4-phenyl-1-(1-propylimidazol-2-yl)butan-2-amine is CCCn1ccnc1CC(CCc1ccccc1)NC.
What is the InChIKey of N-methyl-4-phenyl-1-(1-propylimidazol-2-yl)butan-2-amine?
The InChIKey is QUCCEUIYYMTKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-12-20-13-11-19-17(20)14-16(18-2)10-9-15-7-5-4-6-8-15/h4-8,11,13,16,18H,3,9-10,12,14H2,1-2H3.
What are the key properties of N-methyl-4-phenyl-1-(1-propylimidazol-2-yl)butan-2-amine?
N-methyl-4-phenyl-1-(1-propylimidazol-2-yl)butan-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenyl-1-(1-propylimidazol-2-yl)butan-2-amine is sourced from PubChem (CID 79751946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).