1-(2-fluoro-5-methylphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine

C15H22FNO — CID 113253102

IUPAC1-(2-fluoro-5-methylphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
SMILESCc1ccc(F)c(CNCC2(C)CCOCC2)c1
InChIInChI=1S/C15H22FNO/c1-12-3-4-14(16)13(9-12)10-17-11-15(2)5-7-18-8-6-15/h3-4,9,17H,5-8,10-11H2,1-2H3
InChIKeyOJMPUBMGMRECAJ-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.04
Rot. Bonds4

About 1-(2-fluoro-5-methylphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine

1-(2-fluoro-5-methylphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine (PubChem CID 113253102) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
PubChem CID113253102
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-(2-fluoro-5-methylphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
SMILESCc1ccc(F)c(CNCC2(C)CCOCC2)c1
InChIInChI=1S/C15H22FNO/c1-12-3-4-14(16)13(9-12)10-17-11-15(2)5-7-18-8-6-15/h3-4,9,17H,5-8,10-11H2,1-2H3
InChIKeyOJMPUBMGMRECAJ-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-methylphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103845158
3-fluoro-4-[[(4-methyloxan-4-yl)methylamino]methyl]aniline
CID 114125922
1-(2,3-difluorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103743661
N-[(1-ethylcyclobutyl)methyl]-1-(2-fluoro-5-methylphenyl)methanamine
CID 114107436
N-[(4-methyloxan-4-yl)methyl]-1-(3-methylphenyl)methanamine
CID 103743653
1-(2,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 114094777
N-[(2-fluoro-5-methylphenyl)methyl]oxan-4-amine
CID 115632214
4-[[(2,5-difluorophenyl)methylamino]methyl]oxan-4-ol
CID 78928993
N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
N-[(4-methyloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 103743564
1-(4-bromo-2-chlorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103743685
1-(2,5-difluorophenyl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]methanamine
CID 86843098

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine (CID 113253102) is 1-(2-fluoro-5-methylphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine is Cc1ccc(F)c(CNCC2(C)CCOCC2)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine?
The InChIKey is OJMPUBMGMRECAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-12-3-4-14(16)13(9-12)10-17-11-15(2)5-7-18-8-6-15/h3-4,9,17H,5-8,10-11H2,1-2H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine?
1-(2-fluoro-5-methylphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine has a molecular weight of 251.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine is sourced from PubChem (CID 113253102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).