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

C17H27NO — CID 103432810

IUPAC1-(2-methoxy-3,4-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine
SMILESCOc1c(C2(N)CC(C)CCC2C)ccc(C)c1C
InChIInChI=1S/C17H27NO/c1-11-6-8-13(3)17(18,10-11)15-9-7-12(2)14(4)16(15)19-5/h7,9,11,13H,6,8,10,18H2,1-5H3
InChIKeyUKEQGOAUDZXDDB-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.92
Rot. Bonds2

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

1-(2-methoxy-3,4-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine (PubChem CID 103432810) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(2-methoxy-3,4-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-methoxy-3,4-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine
PubChem CID103432810
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(2-methoxy-3,4-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine
SMILESCOc1c(C2(N)CC(C)CCC2C)ccc(C)c1C
InChIInChI=1S/C17H27NO/c1-11-6-8-13(3)17(18,10-11)15-9-7-12(2)14(4)16(15)19-5/h7,9,11,13H,6,8,10,18H2,1-5H3
InChIKeyUKEQGOAUDZXDDB-UHFFFAOYSA-N
XLogP3.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.92
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-(2,5-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine
CID 64774371
1-(4-fluoro-2-methylphenyl)-2,5-dimethylcyclohexan-1-amine
CID 64760982
1-(2-methoxy-3,4-dimethylphenyl)-3,3,5-trimethylcyclohexan-1-amine
CID 103432756
1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine
CID 103432757
1-(2,6-difluoro-3-methylphenyl)-2,5-dimethylcyclohexan-1-amine
CID 82820255
1-(2-chlorophenyl)-2,5-dimethylcyclohexan-1-amine
CID 64761387
3-(2-methoxy-3,4-dimethylphenyl)-3-methylcyclopentan-1-ol
CID 103434384
[1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine
CID 117293943
2,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine
CID 81216527
4-ethyl-1-(2-methoxy-3,4-dimethylphenyl)cyclohexan-1-ol
CID 103432415
1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylcyclopentan-1-ol
CID 103432648

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine (CID 103432810) is 1-(2-methoxy-3,4-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(2-methoxy-3,4-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(2-methoxy-3,4-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine is COc1c(C2(N)CC(C)CCC2C)ccc(C)c1C.
What is the InChIKey of 1-(2-methoxy-3,4-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine?
The InChIKey is UKEQGOAUDZXDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-11-6-8-13(3)17(18,10-11)15-9-7-12(2)14(4)16(15)19-5/h7,9,11,13H,6,8,10,18H2,1-5H3.
What are the key properties of 1-(2-methoxy-3,4-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine?
1-(2-methoxy-3,4-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.92, 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)-2,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 103432810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).