1-(2-methoxy-3,4-dimethylphenyl)-3,3,5-trimethylcyclohexan-1-amine

C18H29NO — CID 103432756

IUPAC1-(2-methoxy-3,4-dimethylphenyl)-3,3,5-trimethylcyclohexan-1-amine
SMILESCOc1c(C2(N)CC(C)CC(C)(C)C2)ccc(C)c1C
InChIInChI=1S/C18H29NO/c1-12-9-17(4,5)11-18(19,10-12)15-8-7-13(2)14(3)16(15)20-6/h7-8,12H,9-11,19H2,1-6H3
InChIKeyKWHKDBITSLAMNT-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.31
Rot. Bonds2

About 1-(2-methoxy-3,4-dimethylphenyl)-3,3,5-trimethylcyclohexan-1-amine

1-(2-methoxy-3,4-dimethylphenyl)-3,3,5-trimethylcyclohexan-1-amine (PubChem CID 103432756) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(2-methoxy-3,4-dimethylphenyl)-3,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-methoxy-3,4-dimethylphenyl)-3,3,5-trimethylcyclohexan-1-amine
PubChem CID103432756
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(2-methoxy-3,4-dimethylphenyl)-3,3,5-trimethylcyclohexan-1-amine
SMILESCOc1c(C2(N)CC(C)CC(C)(C)C2)ccc(C)c1C
InChIInChI=1S/C18H29NO/c1-12-9-17(4,5)11-18(19,10-12)15-8-7-13(2)14(3)16(15)20-6/h7-8,12H,9-11,19H2,1-6H3
InChIKeyKWHKDBITSLAMNT-UHFFFAOYSA-N
XLogP4.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-3,4-dimethylphenyl)-3-methylcyclohexan-1-amine
CID 103432752
1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine
CID 103432757
1-(2-methoxy-3,4-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine
CID 103432810
1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylcyclopentan-1-ol
CID 103432648
3-(2-methoxy-3,4-dimethylphenyl)-3-methylcyclopentan-1-ol
CID 103434384
[1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine
CID 117293943
1-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]cyclopropan-1-amine
CID 84794783
1-(2,4-dimethoxy-3-methylphenyl)cyclobutan-1-amine
CID 117316614
1-(3-bromo-2-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117480335
1-(4-fluoro-2-methoxy-3-methylphenyl)cyclohexan-1-amine
CID 117347352
4-ethyl-1-(2-methoxy-3,4-dimethylphenyl)cyclohexan-1-ol
CID 103432415
8-(2-methoxy-3,4-dimethylphenyl)spiro[4.5]decan-8-ol
CID 103432732

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-3,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-3,3,5-trimethylcyclohexan-1-amine (CID 103432756) is 1-(2-methoxy-3,4-dimethylphenyl)-3,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(2-methoxy-3,4-dimethylphenyl)-3,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-(2-methoxy-3,4-dimethylphenyl)-3,3,5-trimethylcyclohexan-1-amine is COc1c(C2(N)CC(C)CC(C)(C)C2)ccc(C)c1C.
What is the InChIKey of 1-(2-methoxy-3,4-dimethylphenyl)-3,3,5-trimethylcyclohexan-1-amine?
The InChIKey is KWHKDBITSLAMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-12-9-17(4,5)11-18(19,10-12)15-8-7-13(2)14(3)16(15)20-6/h7-8,12H,9-11,19H2,1-6H3.
What are the key properties of 1-(2-methoxy-3,4-dimethylphenyl)-3,3,5-trimethylcyclohexan-1-amine?
1-(2-methoxy-3,4-dimethylphenyl)-3,3,5-trimethylcyclohexan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,4-dimethylphenyl)-3,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 103432756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).