(1R)-1-[2-fluoro-3-[3-(2-morpholin-2-ylethyl)phenyl]phenyl]ethanamine

C20H25FN2O — CID 141438071

IUPAC(1R)-1-[2-fluoro-3-[3-(2-morpholin-2-ylethyl)phenyl]phenyl]ethanamine
SMILESC[C@@H](N)c1cccc(-c2cccc(CCC3CNCCO3)c2)c1F
InChIInChI=1S/C20H25FN2O/c1-14(22)18-6-3-7-19(20(18)21)16-5-2-4-15(12-16)8-9-17-13-23-10-11-24-17/h2-7,12,14,17,23H,8-11,13,22H2,1H3/t14-,17?/m1/s1
InChIKeyMYVLYMNSRKAMTB-XPCCGILXSA-N
MW328.43 g/mol
LogP3.43
Rot. Bonds5

About (1R)-1-[2-fluoro-3-[3-(2-morpholin-2-ylethyl)phenyl]phenyl]ethanamine

(1R)-1-[2-fluoro-3-[3-(2-morpholin-2-ylethyl)phenyl]phenyl]ethanamine (PubChem CID 141438071) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is (1R)-1-[2-fluoro-3-[3-(2-morpholin-2-ylethyl)phenyl]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-fluoro-3-[3-(2-morpholin-2-ylethyl)phenyl]phenyl]ethanamine
PubChem CID141438071
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC Name(1R)-1-[2-fluoro-3-[3-(2-morpholin-2-ylethyl)phenyl]phenyl]ethanamine
SMILESC[C@@H](N)c1cccc(-c2cccc(CCC3CNCCO3)c2)c1F
InChIInChI=1S/C20H25FN2O/c1-14(22)18-6-3-7-19(20(18)21)16-5-2-4-15(12-16)8-9-17-13-23-10-11-24-17/h2-7,12,14,17,23H,8-11,13,22H2,1H3/t14-,17?/m1/s1
InChIKeyMYVLYMNSRKAMTB-XPCCGILXSA-N
XLogP3.43
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-3-((3,5-Bis(trifluoromethyl)phenyl)methoxy)-2-phenylpiperidine
CID 132846
(S)-2-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-2-phenylpiperidine
CID 11712457
Jdh4VT5tsv
CID 11568372
(6-Benzhydryl-tetrahydro-pyran-3-yl)-(4-fluoro-benzyl)-amine
CID 44287455
4-[(4-Fluorophenyl)methyl]-2-(2-phenylethyl)morpholine
CID 72737750
L 733060 (hydrochloride)
CID 4302965
N-benzyl-2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine
CID 68314329
3-[1-(3,5-Bis-trifluoromethyl-phenyl)-ethoxy]-2-phenyl-piperidine
CID 10477054
Lopac-L-137
CID 6603898
(2R,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-piperidine
CID 44319571
(2S,3S)-3-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-phenylpiperidine
CID 44331792
3-(4-Fluorophenyl)morpholine
CID 3831072

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-fluoro-3-[3-(2-morpholin-2-ylethyl)phenyl]phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-fluoro-3-[3-(2-morpholin-2-ylethyl)phenyl]phenyl]ethanamine (CID 141438071) is (1R)-1-[2-fluoro-3-[3-(2-morpholin-2-ylethyl)phenyl]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-fluoro-3-[3-(2-morpholin-2-ylethyl)phenyl]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-fluoro-3-[3-(2-morpholin-2-ylethyl)phenyl]phenyl]ethanamine is C[C@@H](N)c1cccc(-c2cccc(CCC3CNCCO3)c2)c1F.
What is the InChIKey of (1R)-1-[2-fluoro-3-[3-(2-morpholin-2-ylethyl)phenyl]phenyl]ethanamine?
The InChIKey is MYVLYMNSRKAMTB-XPCCGILXSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-14(22)18-6-3-7-19(20(18)21)16-5-2-4-15(12-16)8-9-17-13-23-10-11-24-17/h2-7,12,14,17,23H,8-11,13,22H2,1H3/t14-,17?/m1/s1.
What are the key properties of (1R)-1-[2-fluoro-3-[3-(2-morpholin-2-ylethyl)phenyl]phenyl]ethanamine?
(1R)-1-[2-fluoro-3-[3-(2-morpholin-2-ylethyl)phenyl]phenyl]ethanamine has a molecular weight of 328.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-fluoro-3-[3-(2-morpholin-2-ylethyl)phenyl]phenyl]ethanamine is sourced from PubChem (CID 141438071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).