[1-(aminomethyl)cyclohexyl]-(2-methoxy-3,4-dimethylphenyl)methanone

C17H25NO2 — CID 103434920

IUPAC[1-(aminomethyl)cyclohexyl]-(2-methoxy-3,4-dimethylphenyl)methanone
SMILESCOc1c(C(=O)C2(CN)CCCCC2)ccc(C)c1C
InChIInChI=1S/C17H25NO2/c1-12-7-8-14(15(20-3)13(12)2)16(19)17(11-18)9-5-4-6-10-17/h7-8H,4-6,9-11,18H2,1-3H3
InChIKeyWSLUDYOMVNHBMM-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.40
Rot. Bonds4

About [1-(aminomethyl)cyclohexyl]-(2-methoxy-3,4-dimethylphenyl)methanone

[1-(aminomethyl)cyclohexyl]-(2-methoxy-3,4-dimethylphenyl)methanone (PubChem CID 103434920) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]-(2-methoxy-3,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]-(2-methoxy-3,4-dimethylphenyl)methanone
PubChem CID103434920
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name[1-(aminomethyl)cyclohexyl]-(2-methoxy-3,4-dimethylphenyl)methanone
SMILESCOc1c(C(=O)C2(CN)CCCCC2)ccc(C)c1C
InChIInChI=1S/C17H25NO2/c1-12-7-8-14(15(20-3)13(12)2)16(19)17(11-18)9-5-4-6-10-17/h7-8H,4-6,9-11,18H2,1-3H3
InChIKeyWSLUDYOMVNHBMM-UHFFFAOYSA-N
XLogP3.40
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclohexyl]-(2,3-difluoro-4-methylphenyl)methanone
CID 107514977
[1-(aminomethyl)cyclobutyl]-(2,3-dimethylphenyl)methanone
CID 116600303
2-(1-aminocyclopentyl)-1-(2-methoxy-3,4-dimethylphenyl)ethanone
CID 103434857
[1-(aminomethyl)cyclohexyl]-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116600667
1-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)cyclohexane-1-carboxamide
CID 115437310
[1-(aminomethyl)cycloheptyl]-(3,5-dimethoxyphenyl)methanone
CID 116602135
[1-(aminomethyl)cyclopropyl]-(2-methoxy-3,5-dimethylphenyl)methanone
CID 116921250
(2-methoxy-3,4-dimethylphenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 103434862
[1-(aminomethyl)cyclohexyl]-naphthalen-1-ylmethanone
CID 116600777
[1-(aminomethyl)cyclohexyl]-(4-methyl-3-pyridinyl)methanone
CID 116600758
[1-(aminomethyl)cyclopentyl]-(3,5-dimethoxyphenyl)methanone
CID 116600946
[1-(aminomethyl)cyclopropyl]-(5-chloro-2-methoxy-3-methylphenyl)methanone
CID 116921253

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclohexyl]-(2-methoxy-3,4-dimethylphenyl)methanone?
The IUPAC name of [1-(aminomethyl)cyclohexyl]-(2-methoxy-3,4-dimethylphenyl)methanone (CID 103434920) is [1-(aminomethyl)cyclohexyl]-(2-methoxy-3,4-dimethylphenyl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]-(2-methoxy-3,4-dimethylphenyl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]-(2-methoxy-3,4-dimethylphenyl)methanone is COc1c(C(=O)C2(CN)CCCCC2)ccc(C)c1C.
What is the InChIKey of [1-(aminomethyl)cyclohexyl]-(2-methoxy-3,4-dimethylphenyl)methanone?
The InChIKey is WSLUDYOMVNHBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-7-8-14(15(20-3)13(12)2)16(19)17(11-18)9-5-4-6-10-17/h7-8H,4-6,9-11,18H2,1-3H3.
What are the key properties of [1-(aminomethyl)cyclohexyl]-(2-methoxy-3,4-dimethylphenyl)methanone?
[1-(aminomethyl)cyclohexyl]-(2-methoxy-3,4-dimethylphenyl)methanone has a molecular weight of 275.39 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclohexyl]-(2-methoxy-3,4-dimethylphenyl)methanone is sourced from PubChem (CID 103434920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).