N-[(2-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine

C15H22FNO — CID 107137030

IUPACN-[(2-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1F)C1CCCOC1
InChIInChI=1S/C15H22FNO/c1-3-17-15(12-7-5-9-18-10-12)13-8-4-6-11(2)14(13)16/h4,6,8,12,15,17H,3,5,7,9-10H2,1-2H3
InChIKeyRHOCEUZYTYIPTI-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.21
Rot. Bonds4

About N-[(2-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine

N-[(2-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine (PubChem CID 107137030) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-[(2-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
PubChem CID107137030
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-[(2-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1F)C1CCCOC1
InChIInChI=1S/C15H22FNO/c1-3-17-15(12-7-5-9-18-10-12)13-8-4-6-11(2)14(13)16/h4,6,8,12,15,17H,3,5,7,9-10H2,1-2H3
InChIKeyRHOCEUZYTYIPTI-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-[(2,3-difluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 65330309
N-[(2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 63563797
N-[(2-fluoro-3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 105010288
N-[(3-chloro-2-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 64713292
N-[oxan-3-yl-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 65332034
N-[(2,5-difluorophenyl)-(oxan-3-yl)methyl]ethanamine
CID 63010696
N-[1-benzothiophen-7-yl(oxan-3-yl)methyl]ethanamine
CID 81153499
N-[oxan-3-yl-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 107139188
N-[(4-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 65331655
N-[(5-bromo-2-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 107138948
N-[(2,6-dichlorophenyl)-(oxan-3-yl)methyl]ethanamine
CID 107139269
N-[(3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 65331704

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine (CID 107137030) is N-[(2-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine is CCNC(c1cccc(C)c1F)C1CCCOC1.
What is the InChIKey of N-[(2-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine?
The InChIKey is RHOCEUZYTYIPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-3-17-15(12-7-5-9-18-10-12)13-8-4-6-11(2)14(13)16/h4,6,8,12,15,17H,3,5,7,9-10H2,1-2H3.
What are the key properties of N-[(2-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine?
N-[(2-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-[(2-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine is sourced from PubChem (CID 107137030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).