4,4-difluoro-1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexan-1-amine

C19H20F3NO — CID 146572380

IUPAC4,4-difluoro-1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexan-1-amine
SMILESNC1(c2ccc(OCc3ccccc3)c(F)c2)CCC(F)(F)CC1
InChIInChI=1S/C19H20F3NO/c20-16-12-15(18(23)8-10-19(21,22)11-9-18)6-7-17(16)24-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13,23H2
InChIKeyLLHXDJWDERIKBO-UHFFFAOYSA-N
MW335.37 g/mol
LogP4.77
Rot. Bonds4

About 4,4-difluoro-1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexan-1-amine

4,4-difluoro-1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexan-1-amine (PubChem CID 146572380) has the molecular formula C19H20F3NO and a molecular weight of 335.37 g/mol. Its IUPAC name is 4,4-difluoro-1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-difluoro-1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexan-1-amine
PubChem CID146572380
Molecular FormulaC19H20F3NO
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name4,4-difluoro-1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexan-1-amine
SMILESNC1(c2ccc(OCc3ccccc3)c(F)c2)CCC(F)(F)CC1
InChIInChI=1S/C19H20F3NO/c20-16-12-15(18(23)8-10-19(21,22)11-9-18)6-7-17(16)24-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13,23H2
InChIKeyLLHXDJWDERIKBO-UHFFFAOYSA-N
XLogP4.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-fluoro-4-phenylmethoxyphenyl)cyclopropyl]ethanamine
CID 117459786
[1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexyl]methanamine
CID 117498798
1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine
CID 66688931
1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612
1-[4-(cyclobutylmethoxy)-3-fluorophenyl]cyclopentan-1-amine
CID 117413278
1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 115582207
4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene
CID 54061452
(1R)-1-(3-fluoro-4-phenylmethoxyphenyl)-N-methylethanamine
CID 93009968
(1R)-2-amino-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 68939021
[4-(3-fluoro-4-phenylmethoxyphenoxy)phenyl]methanamine
CID 143961012
1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride
CID 162691811
2-(bromomethyl)-4-fluoro-1-phenylmethoxybenzene
CID 90051014

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexan-1-amine?
The IUPAC name of 4,4-difluoro-1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexan-1-amine (CID 146572380) is 4,4-difluoro-1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexan-1-amine.
What is the SMILES notation for 4,4-difluoro-1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexan-1-amine?
The canonical SMILES for 4,4-difluoro-1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexan-1-amine is NC1(c2ccc(OCc3ccccc3)c(F)c2)CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexan-1-amine?
The InChIKey is LLHXDJWDERIKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO/c20-16-12-15(18(23)8-10-19(21,22)11-9-18)6-7-17(16)24-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13,23H2.
What are the key properties of 4,4-difluoro-1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexan-1-amine?
4,4-difluoro-1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexan-1-amine has a molecular weight of 335.37 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexan-1-amine is sourced from PubChem (CID 146572380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).