N-methyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-2-amine

C14H19N3 — CID 79752421

IUPACN-methyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-2-amine
SMILESCNC(Cc1ccccc1)Cc1nccn1C
InChIInChI=1S/C14H19N3/c1-15-13(10-12-6-4-3-5-7-12)11-14-16-8-9-17(14)2/h3-9,13,15H,10-11H2,1-2H3
InChIKeyKEKYRWWEGNSDKR-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.79
Rot. Bonds5

About N-methyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-2-amine

N-methyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-2-amine (PubChem CID 79752421) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-methyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-2-amine
PubChem CID79752421
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-methyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-2-amine
SMILESCNC(Cc1ccccc1)Cc1nccn1C
InChIInChI=1S/C14H19N3/c1-15-13(10-12-6-4-3-5-7-12)11-14-16-8-9-17(14)2/h3-9,13,15H,10-11H2,1-2H3
InChIKeyKEKYRWWEGNSDKR-UHFFFAOYSA-N
XLogP1.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1-methylimidazol-2-yl)-3-phenylpropan-2-yl]hydrazine
CID 105195404
1-(4-chlorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79752787
N-methyl-1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 79761270
(2R)-2-[(1-methylimidazol-2-yl)methylamino]-3-phenylpropan-1-ol
CID 104922812
N-[(1-methylimidazol-2-yl)methyl]-1-phenylpropan-2-amine
CID 63010388
N-methyl-1-(1-methylimidazol-2-yl)-4-(4-methylphenyl)butan-2-amine
CID 105167031
N-ethyl-1-(1-methylimidazol-2-yl)-5-phenylpentan-2-amine
CID 105167284
1-(2-chlorophenyl)sulfanyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79761997
N-methyl-1-(1-methylimidazol-2-yl)-2-phenylethanamine
CID 63976862
N-methyl-4-(1-methylimidazol-2-yl)-1-phenoxybutan-2-amine
CID 114530119
1-(4-bromophenyl)-N-methyl-4-(1-methylimidazol-2-yl)butan-2-amine
CID 114529956
4-methoxy-N-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 79751381

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-2-amine?
The IUPAC name of N-methyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-2-amine (CID 79752421) is N-methyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-2-amine.
What is the SMILES notation for N-methyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-2-amine?
The canonical SMILES for N-methyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-2-amine is CNC(Cc1ccccc1)Cc1nccn1C.
What is the InChIKey of N-methyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-2-amine?
The InChIKey is KEKYRWWEGNSDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-15-13(10-12-6-4-3-5-7-12)11-14-16-8-9-17(14)2/h3-9,13,15H,10-11H2,1-2H3.
What are the key properties of N-methyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-2-amine?
N-methyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-2-amine has a molecular weight of 229.33 g/mol, XLogP of 1.79, 5 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)-3-phenylpropan-2-amine is sourced from PubChem (CID 79752421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).