N-[(4-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine

C15H22FNO — CID 65331655

IUPACN-[(4-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(C)c1)C1CCCOC1
InChIInChI=1S/C15H22FNO/c1-3-17-15(13-5-4-8-18-10-13)12-6-7-14(16)11(2)9-12/h6-7,9,13,15,17H,3-5,8,10H2,1-2H3
InChIKeyKUMLDOLQLBHPRB-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.21
Rot. Bonds4

About N-[(4-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine

N-[(4-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine (PubChem CID 65331655) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
PubChem CID65331655
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-[(4-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(C)c1)C1CCCOC1
InChIInChI=1S/C15H22FNO/c1-3-17-15(13-5-4-8-18-10-13)12-6-7-14(16)11(2)9-12/h6-7,9,13,15,17H,3-5,8,10H2,1-2H3
InChIKeyKUMLDOLQLBHPRB-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 65331704
N-[(2,5-difluorophenyl)-(oxan-3-yl)methyl]ethanamine
CID 63010696
N-[(2-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 107137030
N-[oxan-3-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 65332476
N-[(4-cyclobutylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 116506203
N-[(5-bromo-2-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 107138948
N-[(3,5-dimethylcyclohexyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 64730112
N-[oxan-3-yl-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 65332034
N-[(4-chloro-3-fluorophenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107996097
N-[(3,3-dimethyl-2H-1-benzofuran-5-yl)-(oxan-3-yl)methyl]ethanamine
CID 107293755
N-[oxan-3-yl(quinolin-6-yl)methyl]ethanamine
CID 81231200
N-[(3-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 63563793

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine (CID 65331655) is N-[(4-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine is CCNC(c1ccc(F)c(C)c1)C1CCCOC1.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine?
The InChIKey is KUMLDOLQLBHPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-3-17-15(13-5-4-8-18-10-13)12-6-7-14(16)11(2)9-12/h6-7,9,13,15,17H,3-5,8,10H2,1-2H3.
What are the key properties of N-[(4-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine?
N-[(4-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine has a molecular weight of 251.34 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine is sourced from PubChem (CID 65331655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).