1-(2-methoxy-4,6-dimethylphenyl)-4-methylcycloheptan-1-amine

C17H27NO — CID 106679866

IUPAC1-(2-methoxy-4,6-dimethylphenyl)-4-methylcycloheptan-1-amine
SMILESCOc1cc(C)cc(C)c1C1(N)CCCC(C)CC1
InChIInChI=1S/C17H27NO/c1-12-6-5-8-17(18,9-7-12)16-14(3)10-13(2)11-15(16)19-4/h10-12H,5-9,18H2,1-4H3
InChIKeyRWGWAMWHBNJTLV-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.07
Rot. Bonds2

About 1-(2-methoxy-4,6-dimethylphenyl)-4-methylcycloheptan-1-amine

1-(2-methoxy-4,6-dimethylphenyl)-4-methylcycloheptan-1-amine (PubChem CID 106679866) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(2-methoxy-4,6-dimethylphenyl)-4-methylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(2-methoxy-4,6-dimethylphenyl)-4-methylcycloheptan-1-amine
PubChem CID106679866
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(2-methoxy-4,6-dimethylphenyl)-4-methylcycloheptan-1-amine
SMILESCOc1cc(C)cc(C)c1C1(N)CCCC(C)CC1
InChIInChI=1S/C17H27NO/c1-12-6-5-8-17(18,9-7-12)16-14(3)10-13(2)11-15(16)19-4/h10-12H,5-9,18H2,1-4H3
InChIKeyRWGWAMWHBNJTLV-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-4,6-dimethylphenyl)-3,4-dimethylcyclohexan-1-amine
CID 106679860
1-(2-methoxy-4,6-dimethylphenyl)-2,3-dimethylcyclohexan-1-ol
CID 106679636
1-(2-methoxyphenyl)-4-methylcycloheptan-1-amine
CID 65081298
1-(2-fluoro-4,6-dimethylphenyl)-3-methylcyclohexan-1-amine
CID 106880613
4-methyl-1-(4-methylphenyl)cycloheptan-1-amine
CID 65080008
1-(3,4-dimethoxy-2,6-dimethylphenyl)cyclohexan-1-amine
CID 117413656
1-(2-methoxy-4,6-dimethylphenyl)-3,4-dimethylcyclohexan-1-ol
CID 106679635
1-(3-chloro-4-methoxy-2,6-dimethylphenyl)cyclopropan-1-amine
CID 84790598
1-(2-methoxyphenyl)-4-methylcyclohexan-1-amine
CID 60793795
1-(2-bromo-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine
CID 117499521
1-(2-chloro-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine
CID 117427606
1-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylcyclopentan-1-ol
CID 106679681

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-4-methylcycloheptan-1-amine?
The IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-4-methylcycloheptan-1-amine (CID 106679866) is 1-(2-methoxy-4,6-dimethylphenyl)-4-methylcycloheptan-1-amine.
What is the SMILES notation for 1-(2-methoxy-4,6-dimethylphenyl)-4-methylcycloheptan-1-amine?
The canonical SMILES for 1-(2-methoxy-4,6-dimethylphenyl)-4-methylcycloheptan-1-amine is COc1cc(C)cc(C)c1C1(N)CCCC(C)CC1.
What is the InChIKey of 1-(2-methoxy-4,6-dimethylphenyl)-4-methylcycloheptan-1-amine?
The InChIKey is RWGWAMWHBNJTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-6-5-8-17(18,9-7-12)16-14(3)10-13(2)11-15(16)19-4/h10-12H,5-9,18H2,1-4H3.
What are the key properties of 1-(2-methoxy-4,6-dimethylphenyl)-4-methylcycloheptan-1-amine?
1-(2-methoxy-4,6-dimethylphenyl)-4-methylcycloheptan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,6-dimethylphenyl)-4-methylcycloheptan-1-amine is sourced from PubChem (CID 106679866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).