(1R)-2,2,2-trifluoro-1-[3-[(3-fluorophenyl)methoxy]phenyl]ethanamine

C15H13F4NO — CID 66512164

IUPAC(1R)-2,2,2-trifluoro-1-[3-[(3-fluorophenyl)methoxy]phenyl]ethanamine
SMILESN[C@H](c1cccc(OCc2cccc(F)c2)c1)C(F)(F)F
InChIInChI=1S/C15H13F4NO/c16-12-5-1-3-10(7-12)9-21-13-6-2-4-11(8-13)14(20)15(17,18)19/h1-8,14H,9,20H2/t14-/m1/s1
InChIKeyZZZFATMTQJKLKS-CQSZACIVSA-N
MW299.27 g/mol
LogP3.97
Rot. Bonds4

About (1R)-2,2,2-trifluoro-1-[3-[(3-fluorophenyl)methoxy]phenyl]ethanamine

(1R)-2,2,2-trifluoro-1-[3-[(3-fluorophenyl)methoxy]phenyl]ethanamine (PubChem CID 66512164) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-[3-[(3-fluorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-[3-[(3-fluorophenyl)methoxy]phenyl]ethanamine
PubChem CID66512164
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name(1R)-2,2,2-trifluoro-1-[3-[(3-fluorophenyl)methoxy]phenyl]ethanamine
SMILESN[C@H](c1cccc(OCc2cccc(F)c2)c1)C(F)(F)F
InChIInChI=1S/C15H13F4NO/c16-12-5-1-3-10(7-12)9-21-13-6-2-4-11(8-13)14(20)15(17,18)19/h1-8,14H,9,20H2/t14-/m1/s1
InChIKeyZZZFATMTQJKLKS-CQSZACIVSA-N
XLogP3.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2,2,3,3,3-pentafluoro-1-(3-phenylmethoxyphenyl)propan-1-amine
CID 171312580
1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 91656323
(1R)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanamine
CID 66510475
(1S)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243477
3-[(3-fluorophenyl)methoxy]benzenethiol
CID 149048494
(1R)-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine
CID 29016755
N-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39372695
ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene
CID 176690950
1-fluoro-3-[(3-fluorophenyl)methoxy]-5-propan-2-ylbenzene
CID 167222708
3-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764
1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 112788397
ethyl (3S)-3-amino-2,2-difluoro-3-(3-phenylmethoxyphenyl)propanoate
CID 171250199

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-[3-[(3-fluorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-2,2,2-trifluoro-1-[3-[(3-fluorophenyl)methoxy]phenyl]ethanamine (CID 66512164) is (1R)-2,2,2-trifluoro-1-[3-[(3-fluorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-[3-[(3-fluorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-[3-[(3-fluorophenyl)methoxy]phenyl]ethanamine is N[C@H](c1cccc(OCc2cccc(F)c2)c1)C(F)(F)F.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-[3-[(3-fluorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is ZZZFATMTQJKLKS-CQSZACIVSA-N. The full InChI is InChI=1S/C15H13F4NO/c16-12-5-1-3-10(7-12)9-21-13-6-2-4-11(8-13)14(20)15(17,18)19/h1-8,14H,9,20H2/t14-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-[3-[(3-fluorophenyl)methoxy]phenyl]ethanamine?
(1R)-2,2,2-trifluoro-1-[3-[(3-fluorophenyl)methoxy]phenyl]ethanamine has a molecular weight of 299.27 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-[3-[(3-fluorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 66512164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).