N-[(5-fluoro-2-methylphenyl)methyl]-1-(oxan-4-yl)ethanamine

C15H22FNO — CID 103944162

IUPACN-[(5-fluoro-2-methylphenyl)methyl]-1-(oxan-4-yl)ethanamine
SMILESCc1ccc(F)cc1CNC(C)C1CCOCC1
InChIInChI=1S/C15H22FNO/c1-11-3-4-15(16)9-14(11)10-17-12(2)13-5-7-18-8-6-13/h3-4,9,12-13,17H,5-8,10H2,1-2H3
InChIKeyPGWPLHOKQIWZKE-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.04
Rot. Bonds4

About N-[(5-fluoro-2-methylphenyl)methyl]-1-(oxan-4-yl)ethanamine

N-[(5-fluoro-2-methylphenyl)methyl]-1-(oxan-4-yl)ethanamine (PubChem CID 103944162) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)methyl]-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)methyl]-1-(oxan-4-yl)ethanamine
PubChem CID103944162
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-[(5-fluoro-2-methylphenyl)methyl]-1-(oxan-4-yl)ethanamine
SMILESCc1ccc(F)cc1CNC(C)C1CCOCC1
InChIInChI=1S/C15H22FNO/c1-11-3-4-15(16)9-14(11)10-17-12(2)13-5-7-18-8-6-13/h3-4,9,12-13,17H,5-8,10H2,1-2H3
InChIKeyPGWPLHOKQIWZKE-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

Analyze N-[(5-fluoro-2-methylphenyl)methyl]-1-(oxan-4-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115967889
N-[(3-fluorophenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769024
[2-(5-fluoro-2-methylphenyl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105377822
1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 63794443
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 113258289
N-cyclopropyl-2-[(5-fluoro-2-methylphenyl)methylamino]propanamide
CID 105371388
1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]-1-phenylmethanamine
CID 103943652
N-[(2,4-dichlorophenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103768975
N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769004
N-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769025
N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 115699095
1-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 103779552

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-1-(oxan-4-yl)ethanamine?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-1-(oxan-4-yl)ethanamine (CID 103944162) is N-[(5-fluoro-2-methylphenyl)methyl]-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)methyl]-1-(oxan-4-yl)ethanamine?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)methyl]-1-(oxan-4-yl)ethanamine is Cc1ccc(F)cc1CNC(C)C1CCOCC1.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)methyl]-1-(oxan-4-yl)ethanamine?
The InChIKey is PGWPLHOKQIWZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-11-3-4-15(16)9-14(11)10-17-12(2)13-5-7-18-8-6-13/h3-4,9,12-13,17H,5-8,10H2,1-2H3.
What are the key properties of N-[(5-fluoro-2-methylphenyl)methyl]-1-(oxan-4-yl)ethanamine?
N-[(5-fluoro-2-methylphenyl)methyl]-1-(oxan-4-yl)ethanamine 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 N-[(5-fluoro-2-methylphenyl)methyl]-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 103944162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).