2-[1-(aminomethyl)cyclohexyl]-6-methoxy-4-propan-2-ylphenol

C17H27NO2 — CID 117444900

IUPAC2-[1-(aminomethyl)cyclohexyl]-6-methoxy-4-propan-2-ylphenol
SMILESCOc1cc(C(C)C)cc(C2(CN)CCCCC2)c1O
InChIInChI=1S/C17H27NO2/c1-12(2)13-9-14(16(19)15(10-13)20-3)17(11-18)7-5-4-6-8-17/h9-10,12,19H,4-8,11,18H2,1-3H3
InChIKeyBTYGLVZMLOOPBT-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.68
Rot. Bonds4

About 2-[1-(aminomethyl)cyclohexyl]-6-methoxy-4-propan-2-ylphenol

2-[1-(aminomethyl)cyclohexyl]-6-methoxy-4-propan-2-ylphenol (PubChem CID 117444900) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-6-methoxy-4-propan-2-ylphenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-6-methoxy-4-propan-2-ylphenol
PubChem CID117444900
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-6-methoxy-4-propan-2-ylphenol
SMILESCOc1cc(C(C)C)cc(C2(CN)CCCCC2)c1O
InChIInChI=1S/C17H27NO2/c1-12(2)13-9-14(16(19)15(10-13)20-3)17(11-18)7-5-4-6-8-17/h9-10,12,19H,4-8,11,18H2,1-3H3
InChIKeyBTYGLVZMLOOPBT-UHFFFAOYSA-N
XLogP3.68
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]methanamine
CID 117480546
methyl 3-[1-(aminomethyl)cyclopentyl]-4-hydroxy-5-methoxybenzoate
CID 117447945
2-[1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 117415098
1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
CID 117446153
[1-[4-(difluoromethyl)-2-methoxyphenyl]cyclohexyl]methanamine
CID 117426647
4-[1-(aminomethyl)cyclobutyl]-6-methoxy-2,3-dimethylphenol
CID 117343193
2-[1-(aminomethyl)cyclopropyl]-4-ethyl-6-methoxyphenol
CID 117316384
[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117444927
6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol
CID 117417803
2-[1-(aminomethyl)cyclohexyl]-4-methoxy-5-methylphenol
CID 117377399
2-[1-(aminomethyl)cyclohexyl]-4-hydroxy-5-methoxybenzaldehyde
CID 117413127
[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117413443

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-6-methoxy-4-propan-2-ylphenol?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-6-methoxy-4-propan-2-ylphenol (CID 117444900) is 2-[1-(aminomethyl)cyclohexyl]-6-methoxy-4-propan-2-ylphenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-6-methoxy-4-propan-2-ylphenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-6-methoxy-4-propan-2-ylphenol is COc1cc(C(C)C)cc(C2(CN)CCCCC2)c1O.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-6-methoxy-4-propan-2-ylphenol?
The InChIKey is BTYGLVZMLOOPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)13-9-14(16(19)15(10-13)20-3)17(11-18)7-5-4-6-8-17/h9-10,12,19H,4-8,11,18H2,1-3H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-6-methoxy-4-propan-2-ylphenol?
2-[1-(aminomethyl)cyclohexyl]-6-methoxy-4-propan-2-ylphenol has a molecular weight of 277.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-6-methoxy-4-propan-2-ylphenol is sourced from PubChem (CID 117444900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).