2-[dimethylamino-(2-methoxyphenyl)methyl]-1-[2-(2-fluorophenyl)ethyl]cyclohexan-1-ol

C24H32FNO2 — CID 10200111

IUPAC2-[dimethylamino-(2-methoxyphenyl)methyl]-1-[2-(2-fluorophenyl)ethyl]cyclohexan-1-ol
SMILESCOc1ccccc1C(C1CCCCC1(O)CCc1ccccc1F)N(C)C
InChIInChI=1S/C24H32FNO2/c1-26(2)23(19-11-5-7-14-22(19)28-3)20-12-8-9-16-24(20,27)17-15-18-10-4-6-13-21(18)25/h4-7,10-11,13-14,20,23,27H,8-9,12,15-17H2,1-3H3
InChIKeyGTEJGOWBYQHEPJ-UHFFFAOYSA-N
MW385.52 g/mol
LogP4.99
Rot. Bonds7

About 2-[dimethylamino-(2-methoxyphenyl)methyl]-1-[2-(2-fluorophenyl)ethyl]cyclohexan-1-ol

2-[dimethylamino-(2-methoxyphenyl)methyl]-1-[2-(2-fluorophenyl)ethyl]cyclohexan-1-ol (PubChem CID 10200111) has the molecular formula C24H32FNO2 and a molecular weight of 385.52 g/mol. Its IUPAC name is 2-[dimethylamino-(2-methoxyphenyl)methyl]-1-[2-(2-fluorophenyl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[dimethylamino-(2-methoxyphenyl)methyl]-1-[2-(2-fluorophenyl)ethyl]cyclohexan-1-ol
PubChem CID10200111
Molecular FormulaC24H32FNO2
Molecular Weight385.52 g/mol
Exact Mass385.24
IUPAC Name2-[dimethylamino-(2-methoxyphenyl)methyl]-1-[2-(2-fluorophenyl)ethyl]cyclohexan-1-ol
SMILESCOc1ccccc1C(C1CCCCC1(O)CCc1ccccc1F)N(C)C
InChIInChI=1S/C24H32FNO2/c1-26(2)23(19-11-5-7-14-22(19)28-3)20-12-8-9-16-24(20,27)17-15-18-10-4-6-13-21(18)25/h4-7,10-11,13-14,20,23,27H,8-9,12,15-17H2,1-3H3
InChIKeyGTEJGOWBYQHEPJ-UHFFFAOYSA-N
XLogP4.99
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-bromophenyl)-(dimethylamino)methyl]-1-(3-phenylpropyl)cyclohexan-1-ol
CID 10274281
(2,2-dimethylcyclohexyl)-(2-methoxyphenyl)methanol
CID 107191971
cis-(1R,2R)-2-(dimethylamino)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol;oxalic acid
CID 13233439
4-[dimethylamino-(2-methoxyphenyl)methyl]cyclohexan-1-ol
CID 116911216
2-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclopentan-1-ol
CID 13458035
2-(2-methoxyphenyl)-N-[2-[[2-(2-methoxyphenyl)acetyl]-methylamino]cyclohexyl]-N-methylacetamide
CID 71910234
1-[(2-methoxyphenyl)methyl]-2-methylcyclopentan-1-ol
CID 65050430
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 94042605
(2,3-dimethoxyphenyl)-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methanol
CID 18786048
2-[dimethylamino-[4-(trifluoromethyl)phenyl]methyl]-1-[(3-methoxyphenyl)methyl]cyclohexan-1-ol
CID 22447889
1-benzyl-2-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol;hydrochloride
CID 131723349
1-(2-methoxyphenyl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106623052

Frequently Asked Questions

What is the IUPAC name of 2-[dimethylamino-(2-methoxyphenyl)methyl]-1-[2-(2-fluorophenyl)ethyl]cyclohexan-1-ol?
The IUPAC name of 2-[dimethylamino-(2-methoxyphenyl)methyl]-1-[2-(2-fluorophenyl)ethyl]cyclohexan-1-ol (CID 10200111) is 2-[dimethylamino-(2-methoxyphenyl)methyl]-1-[2-(2-fluorophenyl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[dimethylamino-(2-methoxyphenyl)methyl]-1-[2-(2-fluorophenyl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 2-[dimethylamino-(2-methoxyphenyl)methyl]-1-[2-(2-fluorophenyl)ethyl]cyclohexan-1-ol is COc1ccccc1C(C1CCCCC1(O)CCc1ccccc1F)N(C)C.
What is the InChIKey of 2-[dimethylamino-(2-methoxyphenyl)methyl]-1-[2-(2-fluorophenyl)ethyl]cyclohexan-1-ol?
The InChIKey is GTEJGOWBYQHEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FNO2/c1-26(2)23(19-11-5-7-14-22(19)28-3)20-12-8-9-16-24(20,27)17-15-18-10-4-6-13-21(18)25/h4-7,10-11,13-14,20,23,27H,8-9,12,15-17H2,1-3H3.
What are the key properties of 2-[dimethylamino-(2-methoxyphenyl)methyl]-1-[2-(2-fluorophenyl)ethyl]cyclohexan-1-ol?
2-[dimethylamino-(2-methoxyphenyl)methyl]-1-[2-(2-fluorophenyl)ethyl]cyclohexan-1-ol has a molecular weight of 385.52 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethylamino-(2-methoxyphenyl)methyl]-1-[2-(2-fluorophenyl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 10200111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).