N-[(4-fluoro-2-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine

C13H18FNO — CID 62134262

IUPACN-[(4-fluoro-2-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
SMILESCc1cc(F)ccc1CNCC1CCOC1
InChIInChI=1S/C13H18FNO/c1-10-6-13(14)3-2-12(10)8-15-7-11-4-5-16-9-11/h2-3,6,11,15H,4-5,7-9H2,1H3
InChIKeyMPQYSRIQQATHFK-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.26
Rot. Bonds4

About N-[(4-fluoro-2-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine

N-[(4-fluoro-2-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine (PubChem CID 62134262) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
PubChem CID62134262
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-[(4-fluoro-2-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
SMILESCc1cc(F)ccc1CNCC1CCOC1
InChIInChI=1S/C13H18FNO/c1-10-6-13(14)3-2-12(10)8-15-7-11-4-5-16-9-11/h2-3,6,11,15H,4-5,7-9H2,1H3
InChIKeyMPQYSRIQQATHFK-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920891
N-[(2-chloro-4-fluorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 61040054
N-[(4-fluoro-2-methylphenyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295164
3-fluoro-4-[(oxolan-3-ylmethylamino)methyl]aniline
CID 107796628
4-fluoro-2-[(oxan-4-ylmethylamino)methyl]phenol
CID 103948383
2-fluoro-6-[(oxolan-3-ylmethylamino)methyl]phenol
CID 112606580
N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 54931616
N-[[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine
CID 107695487
N-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 43196113
N-[(2,5-dichlorophenyl)methyl]-1-[(3S)-oxolan-3-yl]methanamine
CID 96982783
N-[(4-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 62134783
2,5-difluoro-N-(oxolan-3-ylmethyl)aniline
CID 43192592

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine?
The IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine (CID 62134262) is N-[(4-fluoro-2-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for N-[(4-fluoro-2-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine?
The canonical SMILES for N-[(4-fluoro-2-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine is Cc1cc(F)ccc1CNCC1CCOC1.
What is the InChIKey of N-[(4-fluoro-2-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine?
The InChIKey is MPQYSRIQQATHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10-6-13(14)3-2-12(10)8-15-7-11-4-5-16-9-11/h2-3,6,11,15H,4-5,7-9H2,1H3.
What are the key properties of N-[(4-fluoro-2-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine?
N-[(4-fluoro-2-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine has a molecular weight of 223.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine is sourced from PubChem (CID 62134262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).