N-[(4-imidazol-1-ylphenyl)methyl]-1-(2-methylcyclopropyl)methanamine

C15H19N3 — CID 115594086

IUPACN-[(4-imidazol-1-ylphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
SMILESCC1CC1CNCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H19N3/c1-12-8-14(12)10-17-9-13-2-4-15(5-3-13)18-7-6-16-11-18/h2-7,11-12,14,17H,8-10H2,1H3
InChIKeyOWDAMUQWPQZELS-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.62
Rot. Bonds5

About N-[(4-imidazol-1-ylphenyl)methyl]-1-(2-methylcyclopropyl)methanamine

N-[(4-imidazol-1-ylphenyl)methyl]-1-(2-methylcyclopropyl)methanamine (PubChem CID 115594086) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]-1-(2-methylcyclopropyl)methanamine.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
PubChem CID115594086
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
SMILESCC1CC1CNCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H19N3/c1-12-8-14(12)10-17-9-13-2-4-15(5-3-13)18-7-6-16-11-18/h2-7,11-12,14,17H,8-10H2,1H3
InChIKeyOWDAMUQWPQZELS-UHFFFAOYSA-N
XLogP2.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
CID 43213832
1-(1,1-dioxothiolan-3-yl)-N-[(4-imidazol-1-ylphenyl)methyl]methanamine
CID 60733553
N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 43220337
N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine
CID 60781344
N-[(4-imidazol-1-ylphenyl)methyl]-3-methylbutan-1-amine
CID 43220439
N-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine
CID 43220295
N-[(4-imidazol-1-ylphenyl)methyl]octan-1-amine
CID 78911236
N-[(4-imidazol-1-ylphenyl)methyl]-3-methoxycyclobutan-1-amine
CID 104587926
1-N-[(4-imidazol-1-ylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913038
N-[(4-imidazol-1-ylphenyl)methyl]-2-methylsulfinylethanamine
CID 115632439
N-[(4-imidazol-1-ylphenyl)methyl]-1,3-dimethylpiperidin-4-amine
CID 115615497
[1-[[(4-imidazol-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79479608

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-1-(2-methylcyclopropyl)methanamine?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-1-(2-methylcyclopropyl)methanamine (CID 115594086) is N-[(4-imidazol-1-ylphenyl)methyl]-1-(2-methylcyclopropyl)methanamine.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]-1-(2-methylcyclopropyl)methanamine?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]-1-(2-methylcyclopropyl)methanamine is CC1CC1CNCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]-1-(2-methylcyclopropyl)methanamine?
The InChIKey is OWDAMUQWPQZELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-12-8-14(12)10-17-9-13-2-4-15(5-3-13)18-7-6-16-11-18/h2-7,11-12,14,17H,8-10H2,1H3.
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]-1-(2-methylcyclopropyl)methanamine?
N-[(4-imidazol-1-ylphenyl)methyl]-1-(2-methylcyclopropyl)methanamine has a molecular weight of 241.34 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]-1-(2-methylcyclopropyl)methanamine is sourced from PubChem (CID 115594086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).