N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxan-2-yl)ethanamine

C15H22FNO — CID 103992756

IUPACN-[(5-fluoro-2-methylphenyl)methyl]-2-(oxan-2-yl)ethanamine
SMILESCc1ccc(F)cc1CNCCC1CCCCO1
InChIInChI=1S/C15H22FNO/c1-12-5-6-14(16)10-13(12)11-17-8-7-15-4-2-3-9-18-15/h5-6,10,15,17H,2-4,7-9,11H2,1H3
InChIKeyXFBNRGBPMZMSGQ-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.18
Rot. Bonds5

About N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxan-2-yl)ethanamine

N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxan-2-yl)ethanamine (PubChem CID 103992756) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)methyl]-2-(oxan-2-yl)ethanamine
PubChem CID103992756
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-[(5-fluoro-2-methylphenyl)methyl]-2-(oxan-2-yl)ethanamine
SMILESCc1ccc(F)cc1CNCCC1CCCCO1
InChIInChI=1S/C15H22FNO/c1-12-5-6-14(16)10-13(12)11-17-8-7-15-4-2-3-9-18-15/h5-6,10,15,17H,2-4,7-9,11H2,1H3
InChIKeyXFBNRGBPMZMSGQ-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 115967929
N-[(4-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 62134783
N-[(2,5-difluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 54893285
N-[(2-chloro-4-fluorophenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362834
4-fluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
CID 103948092
N-[(2-bromo-4-fluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 60766476
4-methyl-2-[[2-(oxan-2-yl)ethylamino]methyl]phenol
CID 103993059
N-[(4-ethylphenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362830
N-[(2-bromo-3-fluorophenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 114135964
N-[(3-methylfuran-2-yl)methyl]-2-(oxan-2-yl)ethanamine
CID 103992828
N-[(5-methylfuran-2-yl)methyl]-2-(oxan-2-yl)ethanamine
CID 103992898
4-methyl-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
CID 55205702

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxan-2-yl)ethanamine?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxan-2-yl)ethanamine (CID 103992756) is N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxan-2-yl)ethanamine.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxan-2-yl)ethanamine?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxan-2-yl)ethanamine is Cc1ccc(F)cc1CNCCC1CCCCO1.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxan-2-yl)ethanamine?
The InChIKey is XFBNRGBPMZMSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-12-5-6-14(16)10-13(12)11-17-8-7-15-4-2-3-9-18-15/h5-6,10,15,17H,2-4,7-9,11H2,1H3.
What are the key properties of N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxan-2-yl)ethanamine?
N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxan-2-yl)ethanamine has a molecular weight of 251.34 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxan-2-yl)ethanamine is sourced from PubChem (CID 103992756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).