(1S)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine

C16H16F3NO — CID 78930712

IUPAC(1S)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine
SMILESC[C@H](N)c1cccc(OCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H16F3NO/c1-11(20)13-3-2-4-15(9-13)21-10-12-5-7-14(8-6-12)16(17,18)19/h2-9,11H,10,20H2,1H3/t11-/m0/s1
InChIKeyWUQQKLLBDNOJBW-NSHDSACASA-N
MW295.30 g/mol
LogP4.30
Rot. Bonds4

About (1S)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine

(1S)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine (PubChem CID 78930712) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is (1S)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine
PubChem CID78930712
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name(1S)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine
SMILESC[C@H](N)c1cccc(OCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H16F3NO/c1-11(20)13-3-2-4-15(9-13)21-10-12-5-7-14(8-6-12)16(17,18)19/h2-9,11H,10,20H2,1H3/t11-/m0/s1
InChIKeyWUQQKLLBDNOJBW-NSHDSACASA-N
XLogP4.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine
CID 29016755
(2R)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-2-amine
CID 56989773
1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 60879205
1-[3-[(3,4-difluorophenyl)methoxy]phenyl]ethanamine
CID 82918244
(1R)-1-[3-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 55190099
(1S)-1-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine
CID 103037860
(1R)-1-[3-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 30123362
(1R)-1-[3-(3,3,3-trifluoropropoxy)phenyl]ethanamine
CID 78996560
5-[[3-[(1S)-1-aminoethyl]phenoxy]methyl]-2-fluorobenzonitrile
CID 107879536
(1S)-1-[3-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 63368413
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
3-[3-(1-aminoethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900607

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine (CID 78930712) is (1S)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine is C[C@H](N)c1cccc(OCc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of (1S)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine?
The InChIKey is WUQQKLLBDNOJBW-NSHDSACASA-N. The full InChI is InChI=1S/C16H16F3NO/c1-11(20)13-3-2-4-15(9-13)21-10-12-5-7-14(8-6-12)16(17,18)19/h2-9,11H,10,20H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine?
(1S)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine has a molecular weight of 295.30 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine is sourced from PubChem (CID 78930712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).