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

C21H27NO3 — CID 22360893

IUPAC2-[(3,5-dimethoxyphenyl)methoxy]-1-phenylcyclohexan-1-amine
SMILESCOc1cc(COC2CCCCC2(N)c2ccccc2)cc(OC)c1
InChIInChI=1S/C21H27NO3/c1-23-18-12-16(13-19(14-18)24-2)15-25-20-10-6-7-11-21(20,22)17-8-4-3-5-9-17/h3-5,8-9,12-14,20H,6-7,10-11,15,22H2,1-2H3
InChIKeyLEIMCJGNQOHHOU-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.02
Rot. Bonds6

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

2-[(3,5-dimethoxyphenyl)methoxy]-1-phenylcyclohexan-1-amine (PubChem CID 22360893) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-[(3,5-dimethoxyphenyl)methoxy]-1-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3,5-dimethoxyphenyl)methoxy]-1-phenylcyclohexan-1-amine
PubChem CID22360893
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-[(3,5-dimethoxyphenyl)methoxy]-1-phenylcyclohexan-1-amine
SMILESCOc1cc(COC2CCCCC2(N)c2ccccc2)cc(OC)c1
InChIInChI=1S/C21H27NO3/c1-23-18-12-16(13-19(14-18)24-2)15-25-20-10-6-7-11-21(20,22)17-8-4-3-5-9-17/h3-5,8-9,12-14,20H,6-7,10-11,15,22H2,1-2H3
InChIKeyLEIMCJGNQOHHOU-UHFFFAOYSA-N
XLogP4.02
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine
CID 21202079
2-[(3,5-dichlorophenyl)methoxy]-1-phenylcyclohexan-1-amine
CID 22360897
2-[(3,5-dimethoxyphenyl)methoxy]-1-(1H-indol-3-yl)cyclohexan-1-amine
CID 57112098
2-[(3,5-dimethoxyphenyl)methoxy]-1-indol-1-ylcyclohexan-1-amine
CID 22360930
[(1R,2R)-2-methoxy-2-methylcyclopentyl]oxymethylbenzene
CID 101022105
3-(cyclopentyloxymethyl)-5-methoxyaniline
CID 81150187
2-[(3,5-dimethoxyphenyl)methoxy]oxane
CID 173090369
4-[(3,5-dimethoxyphenyl)methoxymethyl]-4-phenylpiperidine
CID 10499846
3-bromo-1-[(3-methoxyphenyl)methoxy]spiro[3.4]octane
CID 66343418
1-(3-methoxyphenyl)-2-methylcyclopentan-1-amine
CID 79679338
1-(2-methoxyphenyl)-2-phenylcyclohexan-1-amine
CID 60798881
2-ethyl-1-(4-methoxy-2-methylphenyl)cyclohexan-1-amine
CID 65313813

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxyphenyl)methoxy]-1-phenylcyclohexan-1-amine?
The IUPAC name of 2-[(3,5-dimethoxyphenyl)methoxy]-1-phenylcyclohexan-1-amine (CID 22360893) is 2-[(3,5-dimethoxyphenyl)methoxy]-1-phenylcyclohexan-1-amine.
What is the SMILES notation for 2-[(3,5-dimethoxyphenyl)methoxy]-1-phenylcyclohexan-1-amine?
The canonical SMILES for 2-[(3,5-dimethoxyphenyl)methoxy]-1-phenylcyclohexan-1-amine is COc1cc(COC2CCCCC2(N)c2ccccc2)cc(OC)c1.
What is the InChIKey of 2-[(3,5-dimethoxyphenyl)methoxy]-1-phenylcyclohexan-1-amine?
The InChIKey is LEIMCJGNQOHHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-23-18-12-16(13-19(14-18)24-2)15-25-20-10-6-7-11-21(20,22)17-8-4-3-5-9-17/h3-5,8-9,12-14,20H,6-7,10-11,15,22H2,1-2H3.
What are the key properties of 2-[(3,5-dimethoxyphenyl)methoxy]-1-phenylcyclohexan-1-amine?
2-[(3,5-dimethoxyphenyl)methoxy]-1-phenylcyclohexan-1-amine has a molecular weight of 341.45 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxyphenyl)methoxy]-1-phenylcyclohexan-1-amine is sourced from PubChem (CID 22360893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).