2-methyl-2-phenyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine

C17H25N3 — CID 62956494

IUPAC2-methyl-2-phenyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCn1ccnc1CNCC(C)(C)c1ccccc1
InChIInChI=1S/C17H25N3/c1-4-11-20-12-10-19-16(20)13-18-14-17(2,3)15-8-6-5-7-9-15/h5-10,12,18H,4,11,13-14H2,1-3H3
InChIKeyGXQOHUOUFPHIJQ-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.36
Rot. Bonds7

About 2-methyl-2-phenyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine

2-methyl-2-phenyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine (PubChem CID 62956494) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-methyl-2-phenyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-phenyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
PubChem CID62956494
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-methyl-2-phenyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCn1ccnc1CNCC(C)(C)c1ccccc1
InChIInChI=1S/C17H25N3/c1-4-11-20-12-10-19-16(20)13-18-14-17(2,3)15-8-6-5-7-9-15/h5-10,12,18H,4,11,13-14H2,1-3H3
InChIKeyGXQOHUOUFPHIJQ-UHFFFAOYSA-N
XLogP3.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1-(1-propylimidazol-2-yl)propan-2-ol
CID 79744122
1-(2-ethylphenyl)-N-[(1-propylimidazol-2-yl)methyl]methanamine
CID 64680507
N,2,2-trimethyl-3-[(1-propylimidazol-2-yl)methylamino]propanamide
CID 114167139
N-[(1-propylimidazol-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 62955935
3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine
CID 106328036
1-naphthalen-1-yl-N-[(1-propylimidazol-2-yl)methyl]methanamine
CID 62956328
N'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 62957721
2,6-dibromo-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 107597049
N-[(1-propylimidazol-2-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106895060
N-[(2-methylpropan-2-yl)oxy]-1-(1-propylimidazol-2-yl)methanamine
CID 82720219
1-(2-methylpyrazol-3-yl)-N-[(1-propylimidazol-2-yl)methyl]methanamine
CID 63302358
2-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957712

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-2-phenyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine (CID 62956494) is 2-methyl-2-phenyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-2-phenyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-2-phenyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine is CCCn1ccnc1CNCC(C)(C)c1ccccc1.
What is the InChIKey of 2-methyl-2-phenyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine?
The InChIKey is GXQOHUOUFPHIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-11-20-12-10-19-16(20)13-18-14-17(2,3)15-8-6-5-7-9-15/h5-10,12,18H,4,11,13-14H2,1-3H3.
What are the key properties of 2-methyl-2-phenyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine?
2-methyl-2-phenyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 62956494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).