1-(3-methoxyphenyl)-4-(2-phenylethylamino)cyclohexane-1-carbonitrile

C22H26N2O — CID 23133712

IUPAC1-(3-methoxyphenyl)-4-(2-phenylethylamino)cyclohexane-1-carbonitrile
SMILESCOc1cccc(C2(C#N)CCC(NCCc3ccccc3)CC2)c1
InChIInChI=1S/C22H26N2O/c1-25-21-9-5-8-19(16-21)22(17-23)13-10-20(11-14-22)24-15-12-18-6-3-2-4-7-18/h2-9,16,20,24H,10-15H2,1H3
InChIKeyHAAHYBMLNGSTNZ-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.23
Rot. Bonds6

About 1-(3-methoxyphenyl)-4-(2-phenylethylamino)cyclohexane-1-carbonitrile

1-(3-methoxyphenyl)-4-(2-phenylethylamino)cyclohexane-1-carbonitrile (PubChem CID 23133712) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-(2-phenylethylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-(2-phenylethylamino)cyclohexane-1-carbonitrile
PubChem CID23133712
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name1-(3-methoxyphenyl)-4-(2-phenylethylamino)cyclohexane-1-carbonitrile
SMILESCOc1cccc(C2(C#N)CCC(NCCc3ccccc3)CC2)c1
InChIInChI=1S/C22H26N2O/c1-25-21-9-5-8-19(16-21)22(17-23)13-10-20(11-14-22)24-15-12-18-6-3-2-4-7-18/h2-9,16,20,24H,10-15H2,1H3
InChIKeyHAAHYBMLNGSTNZ-UHFFFAOYSA-N
XLogP4.23
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-4-[(4-phenylphenyl)methylamino]cyclohexane-1-carbonitrile
CID 23133727
N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 103698593
3-[[[4-cyano-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]benzenesulfonamide
CID 23133731
1-(3-methoxyphenyl)-4-(piperidin-4-ylamino)cyclohexane-1-carbonitrile;dihydrochloride
CID 23133669
4-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)cyclohexane-1-carbonitrile
CID 23133797
1-benzyl-4-(3-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride
CID 67562153
1-(3-methoxyphenyl)cyclopentane-1-carbonitrile
CID 15030110
N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine
CID 103698595
4-[[4-cyano-4-(3-methoxyphenyl)cyclohexyl]amino]benzenesulfonamide
CID 23133806
1-(3-methoxyphenyl)-4-piperidin-1-ylcyclohexane-1-carbonitrile
CID 23133805
1-(3-methoxyphenyl)-4-piperazin-1-ylcyclohexane-1-carbonitrile
CID 23133699
1-(3-methoxyphenyl)-4-morpholin-4-ylcyclohexane-1-carbonitrile
CID 23133668

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-(2-phenylethylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(3-methoxyphenyl)-4-(2-phenylethylamino)cyclohexane-1-carbonitrile (CID 23133712) is 1-(3-methoxyphenyl)-4-(2-phenylethylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-(2-phenylethylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(3-methoxyphenyl)-4-(2-phenylethylamino)cyclohexane-1-carbonitrile is COc1cccc(C2(C#N)CCC(NCCc3ccccc3)CC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-(2-phenylethylamino)cyclohexane-1-carbonitrile?
The InChIKey is HAAHYBMLNGSTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-25-21-9-5-8-19(16-21)22(17-23)13-10-20(11-14-22)24-15-12-18-6-3-2-4-7-18/h2-9,16,20,24H,10-15H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-4-(2-phenylethylamino)cyclohexane-1-carbonitrile?
1-(3-methoxyphenyl)-4-(2-phenylethylamino)cyclohexane-1-carbonitrile has a molecular weight of 334.46 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-(2-phenylethylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 23133712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).