[1-(aminomethyl)-3-methylcyclohexyl]-(3,5-dimethoxyphenyl)methanol

C17H27NO3 — CID 79123902

IUPAC[1-(aminomethyl)-3-methylcyclohexyl]-(3,5-dimethoxyphenyl)methanol
SMILESCOc1cc(OC)cc(C(O)C2(CN)CCCC(C)C2)c1
InChIInChI=1S/C17H27NO3/c1-12-5-4-6-17(10-12,11-18)16(19)13-7-14(20-2)9-15(8-13)21-3/h7-9,12,16,19H,4-6,10-11,18H2,1-3H3
InChIKeyFCNMSLICBKUWDV-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.89
Rot. Bonds5

About [1-(aminomethyl)-3-methylcyclohexyl]-(3,5-dimethoxyphenyl)methanol

[1-(aminomethyl)-3-methylcyclohexyl]-(3,5-dimethoxyphenyl)methanol (PubChem CID 79123902) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is [1-(aminomethyl)-3-methylcyclohexyl]-(3,5-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-methylcyclohexyl]-(3,5-dimethoxyphenyl)methanol
PubChem CID79123902
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name[1-(aminomethyl)-3-methylcyclohexyl]-(3,5-dimethoxyphenyl)methanol
SMILESCOc1cc(OC)cc(C(O)C2(CN)CCCC(C)C2)c1
InChIInChI=1S/C17H27NO3/c1-12-5-4-6-17(10-12,11-18)16(19)13-7-14(20-2)9-15(8-13)21-3/h7-9,12,16,19H,4-6,10-11,18H2,1-3H3
InChIKeyFCNMSLICBKUWDV-UHFFFAOYSA-N
XLogP2.89
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(aminomethyl)-4-methylcyclohexyl]-(3,5-dimethoxyphenyl)methanol
CID 79123901
[1-(aminomethyl)-3-methylcyclohexyl]-(3-methylphenyl)methanol
CID 79138054
[1-(aminomethyl)-3-methylcyclohexyl]-(6-methoxy-2-pyridinyl)methanol
CID 103348712
[1-(aminomethyl)-3-methylcyclohexyl]-(4,5-dibromofuran-2-yl)methanol
CID 79134896
[1-(aminomethyl)-3-methylcyclohexyl]-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 79137707
[1-(aminomethyl)-3-methylcyclopentyl]-(3,4-dimethylphenyl)methanol
CID 79138726
[1-(aminomethyl)-3-methylcyclohexyl]-(4-bromo-5-chlorothiophen-2-yl)methanol
CID 102845386
[1-(aminomethyl)-3-methylcyclohexyl]-(3-methylthiophen-2-yl)methanol
CID 79137952
[1-(aminomethyl)-3-methylcyclopentyl]-[4-(difluoromethoxy)phenyl]methanol
CID 79135427
[1-(aminomethyl)-3-methylcyclopentyl]-(4-cyclopropylphenyl)methanol
CID 79976853
[1-(aminomethyl)-3-methylcyclopentyl]-(4-ethylphenyl)methanol
CID 79137757
(3,5-dimethoxyphenyl)-(1-methylcyclohexyl)methanol
CID 106830959

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-methylcyclohexyl]-(3,5-dimethoxyphenyl)methanol?
The IUPAC name of [1-(aminomethyl)-3-methylcyclohexyl]-(3,5-dimethoxyphenyl)methanol (CID 79123902) is [1-(aminomethyl)-3-methylcyclohexyl]-(3,5-dimethoxyphenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-3-methylcyclohexyl]-(3,5-dimethoxyphenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-3-methylcyclohexyl]-(3,5-dimethoxyphenyl)methanol is COc1cc(OC)cc(C(O)C2(CN)CCCC(C)C2)c1.
What is the InChIKey of [1-(aminomethyl)-3-methylcyclohexyl]-(3,5-dimethoxyphenyl)methanol?
The InChIKey is FCNMSLICBKUWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12-5-4-6-17(10-12,11-18)16(19)13-7-14(20-2)9-15(8-13)21-3/h7-9,12,16,19H,4-6,10-11,18H2,1-3H3.
What are the key properties of [1-(aminomethyl)-3-methylcyclohexyl]-(3,5-dimethoxyphenyl)methanol?
[1-(aminomethyl)-3-methylcyclohexyl]-(3,5-dimethoxyphenyl)methanol has a molecular weight of 293.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-methylcyclohexyl]-(3,5-dimethoxyphenyl)methanol is sourced from PubChem (CID 79123902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).