2-methyl-N-[3-(1-methylimidazol-2-yl)-2-phenylpropyl]propan-2-amine

C17H25N3 — CID 81024683

IUPAC2-methyl-N-[3-(1-methylimidazol-2-yl)-2-phenylpropyl]propan-2-amine
SMILESCn1ccnc1CC(CNC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H25N3/c1-17(2,3)19-13-15(14-8-6-5-7-9-14)12-16-18-10-11-20(16)4/h5-11,15,19H,12-13H2,1-4H3
InChIKeyXNTAYLJWVDFNTM-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.13
Rot. Bonds5

About 2-methyl-N-[3-(1-methylimidazol-2-yl)-2-phenylpropyl]propan-2-amine

2-methyl-N-[3-(1-methylimidazol-2-yl)-2-phenylpropyl]propan-2-amine (PubChem CID 81024683) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-methyl-N-[3-(1-methylimidazol-2-yl)-2-phenylpropyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(1-methylimidazol-2-yl)-2-phenylpropyl]propan-2-amine
PubChem CID81024683
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-methyl-N-[3-(1-methylimidazol-2-yl)-2-phenylpropyl]propan-2-amine
SMILESCn1ccnc1CC(CNC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H25N3/c1-17(2,3)19-13-15(14-8-6-5-7-9-14)12-16-18-10-11-20(16)4/h5-11,15,19H,12-13H2,1-4H3
InChIKeyXNTAYLJWVDFNTM-UHFFFAOYSA-N
XLogP3.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-phenyl-3-(1-propylimidazol-2-yl)propan-1-amine
CID 81023984
2-methyl-N-(2-phenyl-3-pyridin-3-ylpropyl)propan-2-amine
CID 81023850
N-tert-butyl-4-(2-methyl-1,2,4-triazol-3-yl)-2-phenylbutan-1-amine
CID 81028003
3-(1-methylimidazol-2-yl)-2-phenylpropanoic acid
CID 81008633
N-[3-(4-bromo-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-2-amine
CID 114667316
3-methyl-1-(1-methylimidazol-2-yl)-3-phenylbutan-2-ol
CID 79751999
2-(3-bromo-3-phenylpropyl)-1-methylimidazole
CID 64509692
N-tert-butyl-4-methyl-2-phenylpentan-1-amine
CID 65429499
[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-(2-methoxyethyl)-4-(1-methylimidazol-2-yl)-2-phenylbutan-1-amine
CID 114531489
N-[3-(5-ethylthiophen-2-yl)-2-phenylpropyl]-2-methylpropan-2-amine
CID 65431365

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(1-methylimidazol-2-yl)-2-phenylpropyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[3-(1-methylimidazol-2-yl)-2-phenylpropyl]propan-2-amine (CID 81024683) is 2-methyl-N-[3-(1-methylimidazol-2-yl)-2-phenylpropyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[3-(1-methylimidazol-2-yl)-2-phenylpropyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[3-(1-methylimidazol-2-yl)-2-phenylpropyl]propan-2-amine is Cn1ccnc1CC(CNC(C)(C)C)c1ccccc1.
What is the InChIKey of 2-methyl-N-[3-(1-methylimidazol-2-yl)-2-phenylpropyl]propan-2-amine?
The InChIKey is XNTAYLJWVDFNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-17(2,3)19-13-15(14-8-6-5-7-9-14)12-16-18-10-11-20(16)4/h5-11,15,19H,12-13H2,1-4H3.
What are the key properties of 2-methyl-N-[3-(1-methylimidazol-2-yl)-2-phenylpropyl]propan-2-amine?
2-methyl-N-[3-(1-methylimidazol-2-yl)-2-phenylpropyl]propan-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(1-methylimidazol-2-yl)-2-phenylpropyl]propan-2-amine is sourced from PubChem (CID 81024683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).