4-[(2-fluorophenyl)methoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine

C21H26FNO — CID 10172029

IUPAC4-[(2-fluorophenyl)methoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine
SMILESCN(C)C1(c2ccccc2)CCC(OCc2ccccc2F)CC1
InChIInChI=1S/C21H26FNO/c1-23(2)21(18-9-4-3-5-10-18)14-12-19(13-15-21)24-16-17-8-6-7-11-20(17)22/h3-11,19H,12-16H2,1-2H3
InChIKeyGLBNOVDCIAHFGY-UHFFFAOYSA-N
MW327.44 g/mol
LogP4.74
Rot. Bonds5

About 4-[(2-fluorophenyl)methoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine

4-[(2-fluorophenyl)methoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine (PubChem CID 10172029) has the molecular formula C21H26FNO and a molecular weight of 327.44 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine
PubChem CID10172029
Molecular FormulaC21H26FNO
Molecular Weight327.44 g/mol
Exact Mass327.20
IUPAC Name4-[(2-fluorophenyl)methoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine
SMILESCN(C)C1(c2ccccc2)CCC(OCc2ccccc2F)CC1
InChIInChI=1S/C21H26FNO/c1-23(2)21(18-9-4-3-5-10-18)14-12-19(13-15-21)24-16-17-8-6-7-11-20(17)22/h3-11,19H,12-16H2,1-2H3
InChIKeyGLBNOVDCIAHFGY-UHFFFAOYSA-N
XLogP4.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-4-[(2-fluorophenyl)methoxy]cyclohexan-1-ol
CID 58923698
(3S)-3-[(2-fluorophenyl)methoxy]pyrrolidine
CID 66520009
3-[(2-fluorophenyl)methoxy]pyrrolidine
CID 14497371
4-[(2-fluorophenyl)methoxy]-2,2-dimethyloxolane
CID 21326643
1-[(2-ethoxycyclopentyl)oxymethyl]-2-fluorobenzene
CID 21162814
3-[(2-fluorophenyl)methoxy]-N-methylspiro[3.4]octan-1-amine
CID 66353126
4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-dimethyl-1-phenylcyclohexan-1-amine
CID 10451114
methyl 2-[4-(dimethylamino)-4-phenylcyclohexyl]acetate;hydrochloride
CID 67386483
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 42656380
4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-dimethyl-1-phenylcyclohexan-1-amine;hydrochloride
CID 10451113
4-[2-(4-fluorophenyl)ethenyl]-N,N-dimethyl-1-phenylcyclohexan-1-amine;hydrochloride
CID 68831952
3-[(2-fluorophenyl)methoxy]-2,2-dimethylcyclobutan-1-ol
CID 66345232

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine?
The IUPAC name of 4-[(2-fluorophenyl)methoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine (CID 10172029) is 4-[(2-fluorophenyl)methoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine.
What is the SMILES notation for 4-[(2-fluorophenyl)methoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine?
The canonical SMILES for 4-[(2-fluorophenyl)methoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine is CN(C)C1(c2ccccc2)CCC(OCc2ccccc2F)CC1.
What is the InChIKey of 4-[(2-fluorophenyl)methoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine?
The InChIKey is GLBNOVDCIAHFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO/c1-23(2)21(18-9-4-3-5-10-18)14-12-19(13-15-21)24-16-17-8-6-7-11-20(17)22/h3-11,19H,12-16H2,1-2H3.
What are the key properties of 4-[(2-fluorophenyl)methoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine?
4-[(2-fluorophenyl)methoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine has a molecular weight of 327.44 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine is sourced from PubChem (CID 10172029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).