(2R,3S)-N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine

C12H16FNO — CID 97358660

IUPAC(2R,3S)-N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine
SMILESCc1cc(F)cc(N[C@H]2CCO[C@@H]2C)c1
InChIInChI=1S/C12H16FNO/c1-8-5-10(13)7-11(6-8)14-12-3-4-15-9(12)2/h5-7,9,12,14H,3-4H2,1-2H3/t9-,12+/m1/s1
InChIKeySHACQHLMHFVYKO-SKDRFNHKSA-N
MW209.26 g/mol
LogP2.72
Rot. Bonds2

About (2R,3S)-N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine

(2R,3S)-N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine (PubChem CID 97358660) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (2R,3S)-N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine.

Molecular Properties

Compound Name(2R,3S)-N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine
PubChem CID97358660
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(2R,3S)-N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine
SMILESCc1cc(F)cc(N[C@H]2CCO[C@@H]2C)c1
InChIInChI=1S/C12H16FNO/c1-8-5-10(13)7-11(6-8)14-12-3-4-15-9(12)2/h5-7,9,12,14H,3-4H2,1-2H3/t9-,12+/m1/s1
InChIKeySHACQHLMHFVYKO-SKDRFNHKSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine
CID 75525403
3-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline
CID 130171740
(2R,3S)-N-(3-fluorophenyl)-2-methyloxolan-3-amine
CID 97358489
(2R,3R)-N-(3,4-difluorophenyl)-2-methyloxolan-3-amine
CID 97358475
2-methyl-N-(2,3,5-trifluorophenyl)oxolan-3-amine
CID 82727725
N-(2-fluoro-5-methylphenyl)-2-methyloxolan-3-amine
CID 75525387
(2S,3R)-N-(3-bromo-4-methylphenyl)-2-methyloxolan-3-amine
CID 97358653
(2R,3S)-N-(2-fluoro-4-methylphenyl)-2-methyloxolan-3-amine
CID 97358584
N-(4-bromo-2,6-difluorophenyl)-2-methyloxolan-3-amine
CID 82717356
2,6-dichloro-4-[(2-methyloxolan-3-yl)amino]phenol
CID 107679147
N-(3-fluoro-5-methylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 79054635
2-methyl-N-(2,3,5,6-tetrafluorophenyl)oxolan-3-amine
CID 107643833

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine?
The IUPAC name of (2R,3S)-N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine (CID 97358660) is (2R,3S)-N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine.
What is the SMILES notation for (2R,3S)-N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine?
The canonical SMILES for (2R,3S)-N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine is Cc1cc(F)cc(N[C@H]2CCO[C@@H]2C)c1.
What is the InChIKey of (2R,3S)-N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine?
The InChIKey is SHACQHLMHFVYKO-SKDRFNHKSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8-5-10(13)7-11(6-8)14-12-3-4-15-9(12)2/h5-7,9,12,14H,3-4H2,1-2H3/t9-,12+/m1/s1.
What are the key properties of (2R,3S)-N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine?
(2R,3S)-N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine has a molecular weight of 209.26 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine is sourced from PubChem (CID 97358660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).