N-[(2-fluoro-5-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine

C13H18FNO — CID 62515858

IUPACN-[(2-fluoro-5-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCc1ccc(F)c(CNCC2CCCO2)c1
InChIInChI=1S/C13H18FNO/c1-10-4-5-13(14)11(7-10)8-15-9-12-3-2-6-16-12/h4-5,7,12,15H,2-3,6,8-9H2,1H3
InChIKeyXIEOODOFSLWMDP-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.40
Rot. Bonds4

About N-[(2-fluoro-5-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine

N-[(2-fluoro-5-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 62515858) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-[(2-fluoro-5-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2-fluoro-5-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID62515858
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-[(2-fluoro-5-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCc1ccc(F)c(CNCC2CCCO2)c1
InChIInChI=1S/C13H18FNO/c1-10-4-5-13(14)11(7-10)8-15-9-12-3-2-6-16-12/h4-5,7,12,15H,2-3,6,8-9H2,1H3
InChIKeyXIEOODOFSLWMDP-UHFFFAOYSA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 16807190
N-[(5-methyl-1-benzofuran-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 55013130
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 29187254
7-methyl-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]-1H-quinolin-2-one
CID 863831
N-[(2-bromo-4-chlorophenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 81495268
N-[(2-bromo-4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 43199306
3-fluoro-4-[(oxolan-2-ylmethylamino)methyl]benzonitrile
CID 43199304
N-[(2,5-difluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 54893285
N'-(2,5-dimethylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54807972
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 834252
4-methyl-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
CID 55205702
1-(2-fluoro-5-methylphenyl)-3-(oxolan-2-ylmethyl)thiourea
CID 19687244

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine (CID 62515858) is N-[(2-fluoro-5-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(2-fluoro-5-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(2-fluoro-5-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine is Cc1ccc(F)c(CNCC2CCCO2)c1.
What is the InChIKey of N-[(2-fluoro-5-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is XIEOODOFSLWMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10-4-5-13(14)11(7-10)8-15-9-12-3-2-6-16-12/h4-5,7,12,15H,2-3,6,8-9H2,1H3.
What are the key properties of N-[(2-fluoro-5-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(2-fluoro-5-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 223.29 g/mol, XLogP of 2.40, 4 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)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 62515858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).