2-methyl-N-[[2-(2-phenylethyl)-1H-imidazol-5-yl]methyl]propan-1-amine

C16H23N3 — CID 63109581

IUPAC2-methyl-N-[[2-(2-phenylethyl)-1H-imidazol-5-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cnc(CCc2ccccc2)[nH]1
InChIInChI=1S/C16H23N3/c1-13(2)10-17-11-15-12-18-16(19-15)9-8-14-6-4-3-5-7-14/h3-7,12-13,17H,8-11H2,1-2H3,(H,18,19)
InChIKeyLSVMDEJLSOPPGS-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.94
Rot. Bonds7

About 2-methyl-N-[[2-(2-phenylethyl)-1H-imidazol-5-yl]methyl]propan-1-amine

2-methyl-N-[[2-(2-phenylethyl)-1H-imidazol-5-yl]methyl]propan-1-amine (PubChem CID 63109581) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-methyl-N-[[2-(2-phenylethyl)-1H-imidazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(2-phenylethyl)-1H-imidazol-5-yl]methyl]propan-1-amine
PubChem CID63109581
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-methyl-N-[[2-(2-phenylethyl)-1H-imidazol-5-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cnc(CCc2ccccc2)[nH]1
InChIInChI=1S/C16H23N3/c1-13(2)10-17-11-15-12-18-16(19-15)9-8-14-6-4-3-5-7-14/h3-7,12-13,17H,8-11H2,1-2H3,(H,18,19)
InChIKeyLSVMDEJLSOPPGS-UHFFFAOYSA-N
XLogP2.94
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 63109571
N-[(2-benzyl-1H-imidazol-5-yl)methyl]ethanamine
CID 63108604
2-methyl-N-[(2-pyrimidin-2-yl-1H-imidazol-5-yl)methyl]propan-1-amine
CID 63109614
N-benzyl-2-methylpropan-1-amine;ethane
CID 142079167
N-[[2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
CID 66065335
N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65140493
6-(2-methylpropyl)-2-(2-phenylethyl)-1H-pyrimidine-4-thione
CID 106481341
N-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
CID 113398749
N-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
CID 63109605
2-[(2-methyl-1H-imidazol-5-yl)methylamino]-1-phenylethanol
CID 62743070
N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 82431144
2-methyl-N-[[2-(4-methylpiperazin-1-yl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 55178060

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(2-phenylethyl)-1H-imidazol-5-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(2-phenylethyl)-1H-imidazol-5-yl]methyl]propan-1-amine (CID 63109581) is 2-methyl-N-[[2-(2-phenylethyl)-1H-imidazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(2-phenylethyl)-1H-imidazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(2-phenylethyl)-1H-imidazol-5-yl]methyl]propan-1-amine is CC(C)CNCc1cnc(CCc2ccccc2)[nH]1.
What is the InChIKey of 2-methyl-N-[[2-(2-phenylethyl)-1H-imidazol-5-yl]methyl]propan-1-amine?
The InChIKey is LSVMDEJLSOPPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-13(2)10-17-11-15-12-18-16(19-15)9-8-14-6-4-3-5-7-14/h3-7,12-13,17H,8-11H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-N-[[2-(2-phenylethyl)-1H-imidazol-5-yl]methyl]propan-1-amine?
2-methyl-N-[[2-(2-phenylethyl)-1H-imidazol-5-yl]methyl]propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(2-phenylethyl)-1H-imidazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 63109581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).