1-[1-(aminomethyl)cyclohexyl]-3-(3-methoxyphenyl)propan-2-one

C17H25NO2 — CID 116614341

IUPAC1-[1-(aminomethyl)cyclohexyl]-3-(3-methoxyphenyl)propan-2-one
SMILESCOc1cccc(CC(=O)CC2(CN)CCCCC2)c1
InChIInChI=1S/C17H25NO2/c1-20-16-7-5-6-14(11-16)10-15(19)12-17(13-18)8-3-2-4-9-17/h5-7,11H,2-4,8-10,12-13,18H2,1H3
InChIKeyRQKJGSGCUGSUBA-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.11
Rot. Bonds6

About 1-[1-(aminomethyl)cyclohexyl]-3-(3-methoxyphenyl)propan-2-one

1-[1-(aminomethyl)cyclohexyl]-3-(3-methoxyphenyl)propan-2-one (PubChem CID 116614341) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclohexyl]-3-(3-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclohexyl]-3-(3-methoxyphenyl)propan-2-one
PubChem CID116614341
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[1-(aminomethyl)cyclohexyl]-3-(3-methoxyphenyl)propan-2-one
SMILESCOc1cccc(CC(=O)CC2(CN)CCCCC2)c1
InChIInChI=1S/C17H25NO2/c1-20-16-7-5-6-14(11-16)10-15(19)12-17(13-18)8-3-2-4-9-17/h5-7,11H,2-4,8-10,12-13,18H2,1H3
InChIKeyRQKJGSGCUGSUBA-UHFFFAOYSA-N
XLogP3.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(aminomethyl)cyclohexyl]-3-(3-methoxyphenyl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(3-methoxyphenyl)methyl]cyclooctyl]methanamine
CID 80603141
2-[1-(aminomethyl)cyclohexyl]-N-(3-methoxyphenyl)-N-methylacetamide
CID 104678092
1-cyclohexyl-3-(3-methoxyphenyl)propan-2-one
CID 61077701
1-[1-(aminomethyl)cyclohexyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one
CID 116614445
1-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 69477572
N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 64866121
N-[1-(chloromethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide
CID 114303437
[3-[(dihydroxyamino)oxymethyl]phenyl] 2-[1-(aminomethyl)cyclohexyl]acetate
CID 89021004
1-(2-aminoethoxy)-3-(3-methoxyphenyl)propan-2-one
CID 116590894
1-[(3-methoxyphenyl)methyl]cyclooctane-1-carboxylic acid
CID 80611133
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
1-[1-(aminomethyl)cyclohexyl]-3-(2,3-difluorophenyl)propan-2-one
CID 116614499

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-3-(3-methoxyphenyl)propan-2-one?
The IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-3-(3-methoxyphenyl)propan-2-one (CID 116614341) is 1-[1-(aminomethyl)cyclohexyl]-3-(3-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-[1-(aminomethyl)cyclohexyl]-3-(3-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-[1-(aminomethyl)cyclohexyl]-3-(3-methoxyphenyl)propan-2-one is COc1cccc(CC(=O)CC2(CN)CCCCC2)c1.
What is the InChIKey of 1-[1-(aminomethyl)cyclohexyl]-3-(3-methoxyphenyl)propan-2-one?
The InChIKey is RQKJGSGCUGSUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-20-16-7-5-6-14(11-16)10-15(19)12-17(13-18)8-3-2-4-9-17/h5-7,11H,2-4,8-10,12-13,18H2,1H3.
What are the key properties of 1-[1-(aminomethyl)cyclohexyl]-3-(3-methoxyphenyl)propan-2-one?
1-[1-(aminomethyl)cyclohexyl]-3-(3-methoxyphenyl)propan-2-one has a molecular weight of 275.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclohexyl]-3-(3-methoxyphenyl)propan-2-one is sourced from PubChem (CID 116614341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).