1-cyclopropyl-N-[[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]methyl]methanamine

C16H21N3O — CID 60867864

IUPAC1-cyclopropyl-N-[[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]methyl]methanamine
SMILESCCOc1ccccc1-c1cnc(CNCC2CC2)[nH]1
InChIInChI=1S/C16H21N3O/c1-2-20-15-6-4-3-5-13(15)14-10-18-16(19-14)11-17-9-12-7-8-12/h3-6,10,12,17H,2,7-9,11H2,1H3,(H,18,19)
InChIKeyGBIBDQJOGNZHHZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.97
Rot. Bonds7

About 1-cyclopropyl-N-[[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]methyl]methanamine

1-cyclopropyl-N-[[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]methyl]methanamine (PubChem CID 60867864) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]methyl]methanamine
PubChem CID60867864
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-cyclopropyl-N-[[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]methyl]methanamine
SMILESCCOc1ccccc1-c1cnc(CNCC2CC2)[nH]1
InChIInChI=1S/C16H21N3O/c1-2-20-15-6-4-3-5-13(15)14-10-18-16(19-14)11-17-9-12-7-8-12/h3-6,10,12,17H,2,7-9,11H2,1H3,(H,18,19)
InChIKeyGBIBDQJOGNZHHZ-UHFFFAOYSA-N
XLogP2.97
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(2-chlorophenyl)-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine
CID 54925179
N-[2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60868569
1-cyclopropyl-N-[[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]methyl]methanamine
CID 54925180
2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]piperidine
CID 43651095
N-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine
CID 60851238
1-cyclopropyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]methanamine
CID 60867130
[5-(2-methoxyphenyl)-1H-imidazol-2-yl]methanamine
CID 43649243
N-[[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine
CID 60842321
N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 119128419
N-[[5-(2-ethoxyphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65183820
4-[[2-(2-ethoxyphenoxy)ethylamino]methyl]cyclohexan-1-ol
CID 106133459
2-(2-chloroethyl)-5-(2-methoxyphenyl)-1H-imidazole
CID 116878237

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]methyl]methanamine (CID 60867864) is 1-cyclopropyl-N-[[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]methyl]methanamine is CCOc1ccccc1-c1cnc(CNCC2CC2)[nH]1.
What is the InChIKey of 1-cyclopropyl-N-[[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]methyl]methanamine?
The InChIKey is GBIBDQJOGNZHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-20-15-6-4-3-5-13(15)14-10-18-16(19-14)11-17-9-12-7-8-12/h3-6,10,12,17H,2,7-9,11H2,1H3,(H,18,19).
What are the key properties of 1-cyclopropyl-N-[[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]methyl]methanamine?
1-cyclopropyl-N-[[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]methyl]methanamine has a molecular weight of 271.36 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]methyl]methanamine is sourced from PubChem (CID 60867864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).