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

C19H22FNO — CID 92558690

IUPAC(3S,4S)-N-[(3,4-dimethylphenyl)methyl]-4-(4-fluorophenyl)oxolan-3-amine
SMILESCc1ccc(CN[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1C
InChIInChI=1S/C19H22FNO/c1-13-3-4-15(9-14(13)2)10-21-19-12-22-11-18(19)16-5-7-17(20)8-6-16/h3-9,18-19,21H,10-12H2,1-2H3/t18-,19+/m0/s1
InChIKeyJLCGMILHMHLZPV-RBUKOAKNSA-N
MW299.39 g/mol
LogP3.71
Rot. Bonds4

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

(3S,4S)-N-[(3,4-dimethylphenyl)methyl]-4-(4-fluorophenyl)oxolan-3-amine (PubChem CID 92558690) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is (3S,4S)-N-[(3,4-dimethylphenyl)methyl]-4-(4-fluorophenyl)oxolan-3-amine.

Molecular Properties

Compound Name(3S,4S)-N-[(3,4-dimethylphenyl)methyl]-4-(4-fluorophenyl)oxolan-3-amine
PubChem CID92558690
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC Name(3S,4S)-N-[(3,4-dimethylphenyl)methyl]-4-(4-fluorophenyl)oxolan-3-amine
SMILESCc1ccc(CN[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1C
InChIInChI=1S/C19H22FNO/c1-13-3-4-15(9-14(13)2)10-21-19-12-22-11-18(19)16-5-7-17(20)8-6-16/h3-9,18-19,21H,10-12H2,1-2H3/t18-,19+/m0/s1
InChIKeyJLCGMILHMHLZPV-RBUKOAKNSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-[(3,4-dimethylphenyl)methyl]-4-(4-fluorophenyl)oxolan-3-amine?
The IUPAC name of (3S,4S)-N-[(3,4-dimethylphenyl)methyl]-4-(4-fluorophenyl)oxolan-3-amine (CID 92558690) is (3S,4S)-N-[(3,4-dimethylphenyl)methyl]-4-(4-fluorophenyl)oxolan-3-amine.
What is the SMILES notation for (3S,4S)-N-[(3,4-dimethylphenyl)methyl]-4-(4-fluorophenyl)oxolan-3-amine?
The canonical SMILES for (3S,4S)-N-[(3,4-dimethylphenyl)methyl]-4-(4-fluorophenyl)oxolan-3-amine is Cc1ccc(CN[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1C.
What is the InChIKey of (3S,4S)-N-[(3,4-dimethylphenyl)methyl]-4-(4-fluorophenyl)oxolan-3-amine?
The InChIKey is JLCGMILHMHLZPV-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H22FNO/c1-13-3-4-15(9-14(13)2)10-21-19-12-22-11-18(19)16-5-7-17(20)8-6-16/h3-9,18-19,21H,10-12H2,1-2H3/t18-,19+/m0/s1.
What are the key properties of (3S,4S)-N-[(3,4-dimethylphenyl)methyl]-4-(4-fluorophenyl)oxolan-3-amine?
(3S,4S)-N-[(3,4-dimethylphenyl)methyl]-4-(4-fluorophenyl)oxolan-3-amine has a molecular weight of 299.39 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-[(3,4-dimethylphenyl)methyl]-4-(4-fluorophenyl)oxolan-3-amine is sourced from PubChem (CID 92558690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).