(3S,4S)-4-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxolan-3-amine

C17H17F2NO — CID 92570147

IUPAC(3S,4S)-4-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxolan-3-amine
SMILESFc1ccc(CN[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17F2NO/c18-14-5-1-12(2-6-14)9-20-17-11-21-10-16(17)13-3-7-15(19)8-4-13/h1-8,16-17,20H,9-11H2/t16-,17+/m0/s1
InChIKeyLEAWLHVOOWLEHO-DLBZAZTESA-N
MW289.33 g/mol
LogP3.24
Rot. Bonds4

About (3S,4S)-4-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxolan-3-amine

(3S,4S)-4-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxolan-3-amine (PubChem CID 92570147) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is (3S,4S)-4-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name(3S,4S)-4-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxolan-3-amine
PubChem CID92570147
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name(3S,4S)-4-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxolan-3-amine
SMILESFc1ccc(CN[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17F2NO/c18-14-5-1-12(2-6-14)9-20-17-11-21-10-16(17)13-3-7-15(19)8-4-13/h1-8,16-17,20H,9-11H2/t16-,17+/m0/s1
InChIKeyLEAWLHVOOWLEHO-DLBZAZTESA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-Benzhydryl-tetrahydro-pyran-3-yl)-(4-fluoro-benzyl)-amine
CID 44287455
(3S,5S,10S)-5-(4-Fluoro-phenyl)-10-phenyl-1,8-dioxa-4-aza-spiro[5.5]undecane
CID 44318671
(3S,10S)-3,10-diphenyl-1-oxa-9-azaspiro[4.5]decane
CID 71456210
(3R,5S)-5-benzhydryl-N-(2-phenylethyl)oxolan-3-amine
CID 73053891
(3S,5S)-5-benzhydryl-N-[2-(4-fluorophenyl)ethyl]oxolan-3-amine
CID 73057693
(3S,5S)-5-benzhydryl-N-(2-phenylethyl)oxolan-3-amine
CID 73057974
3-(4-Fluorophenyl)morpholine
CID 3831072
3-Phenylmorpholine
CID 3613837
(R)-2-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-2-phenyl-pyrrolidine
CID 10318976
(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-pyrrolidine
CID 44319329
2-[2-[3,5-Bis(trifluoromethyl)phenyl]ethyl]-3-phenylmorpholine
CID 9930999
3-(3,4-Difluorophenyl)morpholine
CID 18623219

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxolan-3-amine?
The IUPAC name of (3S,4S)-4-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxolan-3-amine (CID 92570147) is (3S,4S)-4-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxolan-3-amine.
What is the SMILES notation for (3S,4S)-4-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxolan-3-amine?
The canonical SMILES for (3S,4S)-4-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxolan-3-amine is Fc1ccc(CN[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1.
What is the InChIKey of (3S,4S)-4-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxolan-3-amine?
The InChIKey is LEAWLHVOOWLEHO-DLBZAZTESA-N. The full InChI is InChI=1S/C17H17F2NO/c18-14-5-1-12(2-6-14)9-20-17-11-21-10-16(17)13-3-7-15(19)8-4-13/h1-8,16-17,20H,9-11H2/t16-,17+/m0/s1.
What are the key properties of (3S,4S)-4-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxolan-3-amine?
(3S,4S)-4-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxolan-3-amine has a molecular weight of 289.33 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxolan-3-amine is sourced from PubChem (CID 92570147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).