N-methyl-1-(1-methylimidazol-2-yl)-4-(4-methylphenyl)butan-2-amine

C16H23N3 — CID 105167031

IUPACN-methyl-1-(1-methylimidazol-2-yl)-4-(4-methylphenyl)butan-2-amine
SMILESCNC(CCc1ccc(C)cc1)Cc1nccn1C
InChIInChI=1S/C16H23N3/c1-13-4-6-14(7-5-13)8-9-15(17-2)12-16-18-10-11-19(16)3/h4-7,10-11,15,17H,8-9,12H2,1-3H3
InChIKeyOEGSZRYCPLYLBV-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.49
Rot. Bonds6

About N-methyl-1-(1-methylimidazol-2-yl)-4-(4-methylphenyl)butan-2-amine

N-methyl-1-(1-methylimidazol-2-yl)-4-(4-methylphenyl)butan-2-amine (PubChem CID 105167031) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-methyl-1-(1-methylimidazol-2-yl)-4-(4-methylphenyl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(1-methylimidazol-2-yl)-4-(4-methylphenyl)butan-2-amine
PubChem CID105167031
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-methyl-1-(1-methylimidazol-2-yl)-4-(4-methylphenyl)butan-2-amine
SMILESCNC(CCc1ccc(C)cc1)Cc1nccn1C
InChIInChI=1S/C16H23N3/c1-13-4-6-14(7-5-13)8-9-15(17-2)12-16-18-10-11-19(16)3/h4-7,10-11,15,17H,8-9,12H2,1-3H3
InChIKeyOEGSZRYCPLYLBV-UHFFFAOYSA-N
XLogP2.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-methyl-4-(1-methylimidazol-2-yl)butan-2-amine
CID 114529956
1-(4-chlorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79752787
N-methyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-2-amine
CID 79752421
4-methoxy-N-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 79751381
[4-(4-methylphenyl)-1-(1-propylimidazol-2-yl)butan-2-yl]hydrazine
CID 105323315
N-methyl-4-phenyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79751946
N-methyl-4-(1-methylimidazol-2-yl)-1-methylsulfanylbutan-2-amine
CID 114530130
N-methyl-1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 79761270
1-(1-methylimidazol-2-yl)-5-(4-methylphenyl)pentan-3-one
CID 105133851
N-methyl-1-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-amine
CID 103030182
1-cyclopentyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 105011635
1-N,1-N,3-N-trimethyl-5-(1-methylimidazol-2-yl)pentane-1,3-diamine
CID 114530623

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylimidazol-2-yl)-4-(4-methylphenyl)butan-2-amine?
The IUPAC name of N-methyl-1-(1-methylimidazol-2-yl)-4-(4-methylphenyl)butan-2-amine (CID 105167031) is N-methyl-1-(1-methylimidazol-2-yl)-4-(4-methylphenyl)butan-2-amine.
What is the SMILES notation for N-methyl-1-(1-methylimidazol-2-yl)-4-(4-methylphenyl)butan-2-amine?
The canonical SMILES for N-methyl-1-(1-methylimidazol-2-yl)-4-(4-methylphenyl)butan-2-amine is CNC(CCc1ccc(C)cc1)Cc1nccn1C.
What is the InChIKey of N-methyl-1-(1-methylimidazol-2-yl)-4-(4-methylphenyl)butan-2-amine?
The InChIKey is OEGSZRYCPLYLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-13-4-6-14(7-5-13)8-9-15(17-2)12-16-18-10-11-19(16)3/h4-7,10-11,15,17H,8-9,12H2,1-3H3.
What are the key properties of N-methyl-1-(1-methylimidazol-2-yl)-4-(4-methylphenyl)butan-2-amine?
N-methyl-1-(1-methylimidazol-2-yl)-4-(4-methylphenyl)butan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylimidazol-2-yl)-4-(4-methylphenyl)butan-2-amine is sourced from PubChem (CID 105167031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).