1-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]methanamine

C16H21N3O — CID 24715482

IUPAC1-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]methanamine
SMILESCOc1cccc(Cn2ccnc2CNCC2CC2)c1
InChIInChI=1S/C16H21N3O/c1-20-15-4-2-3-14(9-15)12-19-8-7-18-16(19)11-17-10-13-5-6-13/h2-4,7-9,13,17H,5-6,10-12H2,1H3
InChIKeyUJTRUGVCNYMMFG-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.44
Rot. Bonds7

About 1-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]methanamine

1-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]methanamine (PubChem CID 24715482) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]methanamine
PubChem CID24715482
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]methanamine
SMILESCOc1cccc(Cn2ccnc2CNCC2CC2)c1
InChIInChI=1S/C16H21N3O/c1-20-15-4-2-3-14(9-15)12-19-8-7-18-16(19)11-17-10-13-5-6-13/h2-4,7-9,13,17H,5-6,10-12H2,1H3
InChIKeyUJTRUGVCNYMMFG-UHFFFAOYSA-N
XLogP2.44
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 42818895
N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropylmethanamine
CID 24715628
1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine
CID 43298537
N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 42818947
1-(3-chlorocyclopentyl)-N-[(3-methoxyphenyl)methyl]methanamine
CID 106121121
N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide
CID 42819974
N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride
CID 45156296
3-[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]aniline
CID 60813843
2-(cyclopropylmethylamino)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119678219
1-[(1-ethylimidazol-2-yl)methyl]-3-[2-(3-methoxyphenyl)ethyl]piperidine
CID 45199047
N-[(1-benzylimidazol-2-yl)methyl]-1-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 95750218
4-[[(1-ethylimidazol-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 106126176

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]methanamine (CID 24715482) is 1-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]methanamine is COc1cccc(Cn2ccnc2CNCC2CC2)c1.
What is the InChIKey of 1-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]methanamine?
The InChIKey is UJTRUGVCNYMMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-20-15-4-2-3-14(9-15)12-19-8-7-18-16(19)11-17-10-13-5-6-13/h2-4,7-9,13,17H,5-6,10-12H2,1H3.
What are the key properties of 1-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]methanamine?
1-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]methanamine has a molecular weight of 271.36 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]methanamine is sourced from PubChem (CID 24715482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).