N-[(1-methylimidazol-2-yl)methyl]-1-phenylpropan-2-amine

C14H19N3 — CID 63010388

IUPACN-[(1-methylimidazol-2-yl)methyl]-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)NCc1nccn1C
InChIInChI=1S/C14H19N3/c1-12(10-13-6-4-3-5-7-13)16-11-14-15-8-9-17(14)2/h3-9,12,16H,10-11H2,1-2H3
InChIKeyXZZNPCGRFCJRFW-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.14
Rot. Bonds5

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

N-[(1-methylimidazol-2-yl)methyl]-1-phenylpropan-2-amine (PubChem CID 63010388) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-1-phenylpropan-2-amine
PubChem CID63010388
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)NCc1nccn1C
InChIInChI=1S/C14H19N3/c1-12(10-13-6-4-3-5-7-13)16-11-14-15-8-9-17(14)2/h3-9,12,16H,10-11H2,1-2H3
InChIKeyXZZNPCGRFCJRFW-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine
CID 115634136
(2R)-2-[(1-methylimidazol-2-yl)methylamino]-3-phenylpropan-1-ol
CID 104922812
[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
3-[(1-methylimidazol-2-yl)methylamino]butanenitrile
CID 63296004
N-[2-(1-methylimidazol-2-yl)ethyl]-4-phenylbutan-2-amine
CID 61213282
N-[(1-methylimidazol-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine
CID 43408958
2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 63293627
N-[(2-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine
CID 63011246
N-[(1-methylpyrrol-3-yl)methyl]-1-phenylpropan-2-amine
CID 66398787
1-(4-bromophenyl)-N-[(1-propylimidazol-2-yl)methyl]propan-2-amine
CID 62956131
4-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]butan-2-amine
CID 63002181

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1-phenylpropan-2-amine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1-phenylpropan-2-amine (CID 63010388) is N-[(1-methylimidazol-2-yl)methyl]-1-phenylpropan-2-amine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-1-phenylpropan-2-amine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-1-phenylpropan-2-amine is CC(Cc1ccccc1)NCc1nccn1C.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-1-phenylpropan-2-amine?
The InChIKey is XZZNPCGRFCJRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-12(10-13-6-4-3-5-7-13)16-11-14-15-8-9-17(14)2/h3-9,12,16H,10-11H2,1-2H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-1-phenylpropan-2-amine?
N-[(1-methylimidazol-2-yl)methyl]-1-phenylpropan-2-amine has a molecular weight of 229.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-1-phenylpropan-2-amine is sourced from PubChem (CID 63010388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).