N-(2-fluoro-5-methylphenyl)-2-methyloxolan-3-amine

C12H16FNO — CID 75525387

IUPACN-(2-fluoro-5-methylphenyl)-2-methyloxolan-3-amine
SMILESCc1ccc(F)c(NC2CCOC2C)c1
InChIInChI=1S/C12H16FNO/c1-8-3-4-10(13)12(7-8)14-11-5-6-15-9(11)2/h3-4,7,9,11,14H,5-6H2,1-2H3
InChIKeyYKAKNDMDWVPPHM-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.72
Rot. Bonds2

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

N-(2-fluoro-5-methylphenyl)-2-methyloxolan-3-amine (PubChem CID 75525387) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-2-methyloxolan-3-amine
PubChem CID75525387
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC NameN-(2-fluoro-5-methylphenyl)-2-methyloxolan-3-amine
SMILESCc1ccc(F)c(NC2CCOC2C)c1
InChIInChI=1S/C12H16FNO/c1-8-3-4-10(13)12(7-8)14-11-5-6-15-9(11)2/h3-4,7,9,11,14H,5-6H2,1-2H3
InChIKeyYKAKNDMDWVPPHM-UHFFFAOYSA-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

(2R,3S)-N-(2-fluoro-4-methylphenyl)-2-methyloxolan-3-amine
CID 97358584
(2S,3S)-N-(2-bromo-5-methylphenyl)-2-methyloxolan-3-amine
CID 97358686
2-fluoro-5-methyl-N-(2-methylcyclobutyl)aniline
CID 126973408
(2R,3R)-N-(3,4-difluorophenyl)-2-methyloxolan-3-amine
CID 97358475
3-fluoro-1-N-(2-methyloxolan-3-yl)benzene-1,2-diamine
CID 82725530
2-methyl-N-(2,3,5-trifluorophenyl)oxolan-3-amine
CID 82727725
2-fluoro-5-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726276
N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyloxolan-3-amine
CID 103873048
N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]acetamide
CID 82727245
N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine
CID 75525403
trans-(1S,2S)-2-(2-fluoro-5-methylanilino)cyclopentan-1-ol
CID 93345925
(2R,3S)-N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine
CID 97358660

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-2-methyloxolan-3-amine?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-2-methyloxolan-3-amine (CID 75525387) is N-(2-fluoro-5-methylphenyl)-2-methyloxolan-3-amine.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-2-methyloxolan-3-amine?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-2-methyloxolan-3-amine is Cc1ccc(F)c(NC2CCOC2C)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-2-methyloxolan-3-amine?
The InChIKey is YKAKNDMDWVPPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8-3-4-10(13)12(7-8)14-11-5-6-15-9(11)2/h3-4,7,9,11,14H,5-6H2,1-2H3.
What are the key properties of N-(2-fluoro-5-methylphenyl)-2-methyloxolan-3-amine?
N-(2-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 N-(2-fluoro-5-methylphenyl)-2-methyloxolan-3-amine is sourced from PubChem (CID 75525387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).