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

C19H22FNO2 — CID 92607566

IUPAC(3S,4S)-4-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyloxolan-3-amine
SMILESCOc1ccc(CN(C)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO2/c1-21(11-14-3-9-17(22-2)10-4-14)19-13-23-12-18(19)15-5-7-16(20)8-6-15/h3-10,18-19H,11-13H2,1-2H3/t18-,19+/m0/s1
InChIKeyLLUBGAYQDSYOEP-RBUKOAKNSA-N
MW315.39 g/mol
LogP3.45
Rot. Bonds5

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

(3S,4S)-4-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyloxolan-3-amine (PubChem CID 92607566) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is (3S,4S)-4-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound Name(3S,4S)-4-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyloxolan-3-amine
PubChem CID92607566
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name(3S,4S)-4-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyloxolan-3-amine
SMILESCOc1ccc(CN(C)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO2/c1-21(11-14-3-9-17(22-2)10-4-14)19-13-23-12-18(19)15-5-7-16(20)8-6-15/h3-10,18-19H,11-13H2,1-2H3/t18-,19+/m0/s1
InChIKeyLLUBGAYQDSYOEP-RBUKOAKNSA-N
XLogP3.45
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyloxolan-3-amine?
The IUPAC name of (3S,4S)-4-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyloxolan-3-amine (CID 92607566) is (3S,4S)-4-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for (3S,4S)-4-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyloxolan-3-amine?
The canonical SMILES for (3S,4S)-4-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyloxolan-3-amine is COc1ccc(CN(C)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1.
What is the InChIKey of (3S,4S)-4-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyloxolan-3-amine?
The InChIKey is LLUBGAYQDSYOEP-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-21(11-14-3-9-17(22-2)10-4-14)19-13-23-12-18(19)15-5-7-16(20)8-6-15/h3-10,18-19H,11-13H2,1-2H3/t18-,19+/m0/s1.
What are the key properties of (3S,4S)-4-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyloxolan-3-amine?
(3S,4S)-4-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyloxolan-3-amine has a molecular weight of 315.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 92607566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).