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

C23H31NO — CID 19956376

IUPAC2-[(3,5-dimethylphenyl)methoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine
SMILESCc1cc(C)cc(COC2CCCCC2(c2ccccc2)N(C)C)c1
InChIInChI=1S/C23H31NO/c1-18-14-19(2)16-20(15-18)17-25-22-12-8-9-13-23(22,24(3)4)21-10-6-5-7-11-21/h5-7,10-11,14-16,22H,8-9,12-13,17H2,1-4H3
InChIKeyWDADPXLYADESSU-UHFFFAOYSA-N
MW337.51 g/mol
LogP5.22
Rot. Bonds5

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

2-[(3,5-dimethylphenyl)methoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine (PubChem CID 19956376) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenyl)methoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3,5-dimethylphenyl)methoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine
PubChem CID19956376
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name2-[(3,5-dimethylphenyl)methoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine
SMILESCc1cc(C)cc(COC2CCCCC2(c2ccccc2)N(C)C)c1
InChIInChI=1S/C23H31NO/c1-18-14-19(2)16-20(15-18)17-25-22-12-8-9-13-23(22,24(3)4)21-10-6-5-7-11-21/h5-7,10-11,14-16,22H,8-9,12-13,17H2,1-4H3
InChIKeyWDADPXLYADESSU-UHFFFAOYSA-N
XLogP5.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylphenyl)methoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine?
The IUPAC name of 2-[(3,5-dimethylphenyl)methoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine (CID 19956376) is 2-[(3,5-dimethylphenyl)methoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine.
What is the SMILES notation for 2-[(3,5-dimethylphenyl)methoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine?
The canonical SMILES for 2-[(3,5-dimethylphenyl)methoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine is Cc1cc(C)cc(COC2CCCCC2(c2ccccc2)N(C)C)c1.
What is the InChIKey of 2-[(3,5-dimethylphenyl)methoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine?
The InChIKey is WDADPXLYADESSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1-18-14-19(2)16-20(15-18)17-25-22-12-8-9-13-23(22,24(3)4)21-10-6-5-7-11-21/h5-7,10-11,14-16,22H,8-9,12-13,17H2,1-4H3.
What are the key properties of 2-[(3,5-dimethylphenyl)methoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine?
2-[(3,5-dimethylphenyl)methoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine has a molecular weight of 337.51 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylphenyl)methoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine is sourced from PubChem (CID 19956376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).