(2R,3S)-N-(3-fluorophenyl)-2-methyloxolan-3-amine

C11H14FNO — CID 97358489

IUPAC(2R,3S)-N-(3-fluorophenyl)-2-methyloxolan-3-amine
SMILESC[C@H]1OCC[C@@H]1Nc1cccc(F)c1
InChIInChI=1S/C11H14FNO/c1-8-11(5-6-14-8)13-10-4-2-3-9(12)7-10/h2-4,7-8,11,13H,5-6H2,1H3/t8-,11+/m1/s1
InChIKeyPFANCMKLLNEDQG-KCJUWKMLSA-N
MW195.24 g/mol
LogP2.41
Rot. Bonds2

About (2R,3S)-N-(3-fluorophenyl)-2-methyloxolan-3-amine

(2R,3S)-N-(3-fluorophenyl)-2-methyloxolan-3-amine (PubChem CID 97358489) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is (2R,3S)-N-(3-fluorophenyl)-2-methyloxolan-3-amine.

Molecular Properties

Compound Name(2R,3S)-N-(3-fluorophenyl)-2-methyloxolan-3-amine
PubChem CID97358489
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name(2R,3S)-N-(3-fluorophenyl)-2-methyloxolan-3-amine
SMILESC[C@H]1OCC[C@@H]1Nc1cccc(F)c1
InChIInChI=1S/C11H14FNO/c1-8-11(5-6-14-8)13-10-4-2-3-9(12)7-10/h2-4,7-8,11,13H,5-6H2,1H3/t8-,11+/m1/s1
InChIKeyPFANCMKLLNEDQG-KCJUWKMLSA-N
XLogP2.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,3S)-N-(3-fluorophenyl)-2-methyloxolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R)-N-(3,4-difluorophenyl)-2-methyloxolan-3-amine
CID 97358475
N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine
CID 75525403
(2R,3S)-N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine
CID 97358660
[3-[(2-methyloxolan-3-yl)amino]phenyl]urea
CID 82727169
N-[1-(3-fluorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335511
N-(3-fluorophenyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82754893
2-methyl-N-[3-(2-methylpropoxy)phenyl]oxolan-3-amine
CID 82727034
5-fluoro-2-[(2-methyloxolan-3-yl)amino]benzonitrile
CID 82717620
N-[(2-fluorophenyl)methyl]-3-[[(2R,3S)-2-methyloxolan-3-yl]amino]benzamide
CID 97255038
N-[(2-fluorophenyl)methyl]-3-[[(2S,3S)-2-methyloxolan-3-yl]amino]benzamide
CID 97255039
4-(3-fluoroanilino)oxolan-3-ol
CID 60896820
trans-(1R,2R)-2-(3-fluoroanilino)cyclopentan-1-ol
CID 93345851

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(3-fluorophenyl)-2-methyloxolan-3-amine?
The IUPAC name of (2R,3S)-N-(3-fluorophenyl)-2-methyloxolan-3-amine (CID 97358489) is (2R,3S)-N-(3-fluorophenyl)-2-methyloxolan-3-amine.
What is the SMILES notation for (2R,3S)-N-(3-fluorophenyl)-2-methyloxolan-3-amine?
The canonical SMILES for (2R,3S)-N-(3-fluorophenyl)-2-methyloxolan-3-amine is C[C@H]1OCC[C@@H]1Nc1cccc(F)c1.
What is the InChIKey of (2R,3S)-N-(3-fluorophenyl)-2-methyloxolan-3-amine?
The InChIKey is PFANCMKLLNEDQG-KCJUWKMLSA-N. The full InChI is InChI=1S/C11H14FNO/c1-8-11(5-6-14-8)13-10-4-2-3-9(12)7-10/h2-4,7-8,11,13H,5-6H2,1H3/t8-,11+/m1/s1.
What are the key properties of (2R,3S)-N-(3-fluorophenyl)-2-methyloxolan-3-amine?
(2R,3S)-N-(3-fluorophenyl)-2-methyloxolan-3-amine has a molecular weight of 195.24 g/mol, XLogP of 2.41, 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-fluorophenyl)-2-methyloxolan-3-amine is sourced from PubChem (CID 97358489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).