2-[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine

C21H27NO — CID 21202079

IUPAC2-[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine
SMILESCc1cc(C)cc(COC2CCCCC2(N)c2ccccc2)c1
InChIInChI=1S/C21H27NO/c1-16-12-17(2)14-18(13-16)15-23-20-10-6-7-11-21(20,22)19-8-4-3-5-9-19/h3-5,8-9,12-14,20H,6-7,10-11,15,22H2,1-2H3
InChIKeyXZIUMGJRQSDHCO-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.62
Rot. Bonds4

About 2-[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine

2-[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine (PubChem CID 21202079) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine
PubChem CID21202079
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name2-[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine
SMILESCc1cc(C)cc(COC2CCCCC2(N)c2ccccc2)c1
InChIInChI=1S/C21H27NO/c1-16-12-17(2)14-18(13-16)15-23-20-10-6-7-11-21(20,22)19-8-4-3-5-9-19/h3-5,8-9,12-14,20H,6-7,10-11,15,22H2,1-2H3
InChIKeyXZIUMGJRQSDHCO-UHFFFAOYSA-N
XLogP4.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine?
The IUPAC name of 2-[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine (CID 21202079) is 2-[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine.
What is the SMILES notation for 2-[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine?
The canonical SMILES for 2-[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine is Cc1cc(C)cc(COC2CCCCC2(N)c2ccccc2)c1.
What is the InChIKey of 2-[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine?
The InChIKey is XZIUMGJRQSDHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-16-12-17(2)14-18(13-16)15-23-20-10-6-7-11-21(20,22)19-8-4-3-5-9-19/h3-5,8-9,12-14,20H,6-7,10-11,15,22H2,1-2H3.
What are the key properties of 2-[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine?
2-[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine has a molecular weight of 309.45 g/mol, XLogP of 4.62, 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)methoxy]-1-phenylcyclohexan-1-amine is sourced from PubChem (CID 21202079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).