4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]cyclohexan-1-ol

C21H27NO2 — CID 139003231

IUPAC4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]cyclohexan-1-ol
SMILESCOc1ccc(C(Cc2ccccc2)NC2CCC(O)CC2)cc1
InChIInChI=1S/C21H27NO2/c1-24-20-13-7-17(8-14-20)21(15-16-5-3-2-4-6-16)22-18-9-11-19(23)12-10-18/h2-8,13-14,18-19,21-23H,9-12,15H2,1H3
InChIKeyVQHGTTXCINLWTD-UHFFFAOYSA-N
MW325.45 g/mol
LogP3.87
Rot. Bonds6

About 4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]cyclohexan-1-ol

4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]cyclohexan-1-ol (PubChem CID 139003231) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]cyclohexan-1-ol
PubChem CID139003231
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]cyclohexan-1-ol
SMILESCOc1ccc(C(Cc2ccccc2)NC2CCC(O)CC2)cc1
InChIInChI=1S/C21H27NO2/c1-24-20-13-7-17(8-14-20)21(15-16-5-3-2-4-6-16)22-18-9-11-19(23)12-10-18/h2-8,13-14,18-19,21-23H,9-12,15H2,1H3
InChIKeyVQHGTTXCINLWTD-UHFFFAOYSA-N
XLogP3.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

(3R)-N-[(1S)-1-(4-methoxyphenyl)-2-phenylethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 944947
N-cyclopropyl-1-(4-methoxyphenyl)ethane-1,2-diamine
CID 62070325
[1-(4-methoxyphenyl)-2-phenylethyl]hydrazine
CID 105190728
N-[1-(4-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 43495037
1-[[1-(4-methoxyphenyl)-2-phenylethyl]carbamoyl]piperidine-3-carboxylic acid
CID 122014818
1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine
CID 24838118
2-amino-N-[1-(4-methoxyphenyl)-2-phenylethyl]acetamide
CID 67761066
N-cyclobutyl-1-(4-methoxyphenyl)ethane-1,2-diamine
CID 105476319
4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]butan-1-ol;hydrochloride
CID 54602354
1-deuterio-1-(4-methoxyphenyl)-2-phenylethanol
CID 135063762
N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]cyclopropanamine
CID 82262623
N-(1,2-diphenylethyl)-1-methylpyrrolidin-3-amine
CID 61462426

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]cyclohexan-1-ol (CID 139003231) is 4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]cyclohexan-1-ol is COc1ccc(C(Cc2ccccc2)NC2CCC(O)CC2)cc1.
What is the InChIKey of 4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]cyclohexan-1-ol?
The InChIKey is VQHGTTXCINLWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-24-20-13-7-17(8-14-20)21(15-16-5-3-2-4-6-16)22-18-9-11-19(23)12-10-18/h2-8,13-14,18-19,21-23H,9-12,15H2,1H3.
What are the key properties of 4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]cyclohexan-1-ol?
4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]cyclohexan-1-ol has a molecular weight of 325.45 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 139003231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).