(4-methoxy-2,5-dimethylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine

C18H29NO2 — CID 116767593

IUPAC(4-methoxy-2,5-dimethylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine
SMILESCOc1cc(C)c(C(N)C2(OC)CCCC(C)C2)cc1C
InChIInChI=1S/C18H29NO2/c1-12-7-6-8-18(11-12,21-5)17(19)15-9-14(3)16(20-4)10-13(15)2/h9-10,12,17H,6-8,11,19H2,1-5H3
InChIKeyQJMNUPWMVFOCCB-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.91
Rot. Bonds4

About (4-methoxy-2,5-dimethylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine

(4-methoxy-2,5-dimethylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine (PubChem CID 116767593) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is (4-methoxy-2,5-dimethylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-methoxy-2,5-dimethylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine
PubChem CID116767593
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name(4-methoxy-2,5-dimethylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine
SMILESCOc1cc(C)c(C(N)C2(OC)CCCC(C)C2)cc1C
InChIInChI=1S/C18H29NO2/c1-12-7-6-8-18(11-12,21-5)17(19)15-9-14(3)16(20-4)10-13(15)2/h9-10,12,17H,6-8,11,19H2,1-5H3
InChIKeyQJMNUPWMVFOCCB-UHFFFAOYSA-N
XLogP3.91
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116761694
(3-chloro-4-methylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine
CID 107560765
(3,4-dichlorophenyl)-(1-methoxy-3-methylcyclohexyl)methanamine
CID 116767627
1-(1-methoxycyclobutyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine
CID 116714296
2-(3,5-dimethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 116767540
2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 105374421
[(2-fluoro-5-methylphenyl)-(1-methoxy-3-methylcyclohexyl)methyl]hydrazine
CID 105277451
[(2-fluoro-4-methoxyphenyl)-(1-methoxy-3-methylcyclohexyl)methyl]hydrazine
CID 103397686
(7-fluoro-1-benzofuran-2-yl)-(1-methoxy-3-methylcyclohexyl)methanamine
CID 114731470
(1-ethoxy-3-methylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 103395911
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895
[1-(1-methoxy-3-methylcyclohexyl)-2-(2-methoxyphenyl)ethyl]hydrazine
CID 105277634

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2,5-dimethylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine?
The IUPAC name of (4-methoxy-2,5-dimethylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine (CID 116767593) is (4-methoxy-2,5-dimethylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine.
What is the SMILES notation for (4-methoxy-2,5-dimethylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine?
The canonical SMILES for (4-methoxy-2,5-dimethylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine is COc1cc(C)c(C(N)C2(OC)CCCC(C)C2)cc1C.
What is the InChIKey of (4-methoxy-2,5-dimethylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine?
The InChIKey is QJMNUPWMVFOCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-12-7-6-8-18(11-12,21-5)17(19)15-9-14(3)16(20-4)10-13(15)2/h9-10,12,17H,6-8,11,19H2,1-5H3.
What are the key properties of (4-methoxy-2,5-dimethylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine?
(4-methoxy-2,5-dimethylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine has a molecular weight of 291.44 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2,5-dimethylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine is sourced from PubChem (CID 116767593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).