2-(3,5-dimethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine

C18H29NO — CID 116767540

IUPAC2-(3,5-dimethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
SMILESCOC1(C(N)Cc2cc(C)cc(C)c2)CCCC(C)C1
InChIInChI=1S/C18H29NO/c1-13-6-5-7-18(12-13,20-4)17(19)11-16-9-14(2)8-15(3)10-16/h8-10,13,17H,5-7,11-12,19H2,1-4H3
InChIKeyULKQUFFZTUMFOO-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.77
Rot. Bonds4

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

2-(3,5-dimethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine (PubChem CID 116767540) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
PubChem CID116767540
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-(3,5-dimethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
SMILESCOC1(C(N)Cc2cc(C)cc(C)c2)CCCC(C)C1
InChIInChI=1S/C18H29NO/c1-13-6-5-7-18(12-13,20-4)17(19)11-16-9-14(2)8-15(3)10-16/h8-10,13,17H,5-7,11-12,19H2,1-4H3
InChIKeyULKQUFFZTUMFOO-UHFFFAOYSA-N
XLogP3.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methoxy-3-methylcyclohexyl)-2-pyridin-4-ylethanamine
CID 116767493
2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 105374421
2-(4-bromo-2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 116767463
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 116767607
2-(5-bromo-2-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 116767724
1-(1-ethoxy-3-methylcyclohexyl)-2-phenylethanamine
CID 116768003
2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 106268671
1-(1-methoxy-3-methylcyclohexyl)-3-methylbut-3-en-1-amine
CID 116767522
2-(4-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116768047
1-(1-methoxycyclopentyl)-2-(4-methylphenyl)ethanamine
CID 104610637
2-(5-bromo-3-pyridinyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116768183
1-(1-methoxy-3-methylcyclohexyl)hex-5-yn-1-amine
CID 116767594

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(3,5-dimethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine (CID 116767540) is 2-(3,5-dimethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine is COC1(C(N)Cc2cc(C)cc(C)c2)CCCC(C)C1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine?
The InChIKey is ULKQUFFZTUMFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13-6-5-7-18(12-13,20-4)17(19)11-16-9-14(2)8-15(3)10-16/h8-10,13,17H,5-7,11-12,19H2,1-4H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine?
2-(3,5-dimethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine has a molecular weight of 275.44 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine is sourced from PubChem (CID 116767540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).