2-[(3,4-dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine

C21H27NO — CID 22360899

IUPAC2-[(3,4-dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine
SMILESCc1ccc(COC2CCCCC2(N)c2ccccc2)cc1C
InChIInChI=1S/C21H27NO/c1-16-11-12-18(14-17(16)2)15-23-20-10-6-7-13-21(20,22)19-8-4-3-5-9-19/h3-5,8-9,11-12,14,20H,6-7,10,13,15,22H2,1-2H3
InChIKeyJNMDCGYNFRTXAI-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.62
Rot. Bonds4

About 2-[(3,4-dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine

2-[(3,4-dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine (PubChem CID 22360899) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3,4-dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine
PubChem CID22360899
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name2-[(3,4-dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine
SMILESCc1ccc(COC2CCCCC2(N)c2ccccc2)cc1C
InChIInChI=1S/C21H27NO/c1-16-11-12-18(14-17(16)2)15-23-20-10-6-7-13-21(20,22)19-8-4-3-5-9-19/h3-5,8-9,11-12,14,20H,6-7,10,13,15,22H2,1-2H3
InChIKeyJNMDCGYNFRTXAI-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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Related Compounds

1-(5H-Dibenzo[a,d]cyclohepten-5-yl)-2-(3,5-dimethyl-benzyloxy)-ethylamine
CID 18986937
1-(2,5-Dimethyl-benzyloxymethyl)-2,2-diphenyl-ethylamine
CID 44299750
(S)-2-(3,5-Dimethyl-benzyloxy)-1-phenyl-ethylamine
CID 44308930
2-[(4-Tert-butylphenyl)-phenyl-methoxy]-2-phenyl-ethanamine
CID 46230929
(S)-2-(3-tert-Butyl-5-methyl-benzyloxy)-1-phenyl-ethylamine
CID 44326280
2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-methyl-1-phenyl-ethylamine
CID 44326281
2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-phenylcyclohexan-1-amine
CID 22360926
(R)-2-(3,5-Dimethyl-benzyloxy)-1-phenyl-ethylamine
CID 44308931
2,4-Bis[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine
CID 19956374
2-[(3,5-dimethylphenyl)methoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine
CID 19956376
2-[(3,5-Dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine
CID 21202079
2-([1,1'-Biphenyl]-4-ylmethoxy)-2-phenylethylamine
CID 70682933

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine?
The IUPAC name of 2-[(3,4-dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine (CID 22360899) is 2-[(3,4-dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine.
What is the SMILES notation for 2-[(3,4-dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine?
The canonical SMILES for 2-[(3,4-dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine is Cc1ccc(COC2CCCCC2(N)c2ccccc2)cc1C.
What is the InChIKey of 2-[(3,4-dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine?
The InChIKey is JNMDCGYNFRTXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-16-11-12-18(14-17(16)2)15-23-20-10-6-7-13-21(20,22)19-8-4-3-5-9-19/h3-5,8-9,11-12,14,20H,6-7,10,13,15,22H2,1-2H3.
What are the key properties of 2-[(3,4-dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine?
2-[(3,4-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-[(3,4-dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine is sourced from PubChem (CID 22360899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).