1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-amine

C17H27NO — CID 65313238

IUPAC1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-amine
SMILESCOc1ccc(C2(N)CCCC(C)(C)CC2)c(C)c1
InChIInChI=1S/C17H27NO/c1-13-12-14(19-4)6-7-15(13)17(18)9-5-8-16(2,3)10-11-17/h6-7,12H,5,8-11,18H2,1-4H3
InChIKeyWSGFTJZYCKPLJQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.15
Rot. Bonds2

About 1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-amine

1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-amine (PubChem CID 65313238) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-amine
PubChem CID65313238
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-amine
SMILESCOc1ccc(C2(N)CCCC(C)(C)CC2)c(C)c1
InChIInChI=1S/C17H27NO/c1-13-12-14(19-4)6-7-15(13)17(18)9-5-8-16(2,3)10-11-17/h6-7,12H,5,8-11,18H2,1-4H3
InChIKeyWSGFTJZYCKPLJQ-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-amine?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-amine (CID 65313238) is 1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-amine is COc1ccc(C2(N)CCCC(C)(C)CC2)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-amine?
The InChIKey is WSGFTJZYCKPLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-12-14(19-4)6-7-15(13)17(18)9-5-8-16(2,3)10-11-17/h6-7,12H,5,8-11,18H2,1-4H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-amine?
1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-amine is sourced from PubChem (CID 65313238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).