N-ethyl-4-(5-fluoro-2-methylphenyl)-1-methoxybutan-2-amine

C14H22FNO — CID 105372347

IUPACN-ethyl-4-(5-fluoro-2-methylphenyl)-1-methoxybutan-2-amine
SMILESCCNC(CCc1cc(F)ccc1C)COC
InChIInChI=1S/C14H22FNO/c1-4-16-14(10-17-3)8-6-12-9-13(15)7-5-11(12)2/h5,7,9,14,16H,4,6,8,10H2,1-3H3
InChIKeyXEMJSXRNLKNUCA-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.69
Rot. Bonds7

About N-ethyl-4-(5-fluoro-2-methylphenyl)-1-methoxybutan-2-amine

N-ethyl-4-(5-fluoro-2-methylphenyl)-1-methoxybutan-2-amine (PubChem CID 105372347) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is N-ethyl-4-(5-fluoro-2-methylphenyl)-1-methoxybutan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(5-fluoro-2-methylphenyl)-1-methoxybutan-2-amine
PubChem CID105372347
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC NameN-ethyl-4-(5-fluoro-2-methylphenyl)-1-methoxybutan-2-amine
SMILESCCNC(CCc1cc(F)ccc1C)COC
InChIInChI=1S/C14H22FNO/c1-4-16-14(10-17-3)8-6-12-9-13(15)7-5-11(12)2/h5,7,9,14,16H,4,6,8,10H2,1-3H3
InChIKeyXEMJSXRNLKNUCA-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-4-(5-fluoro-2-methylphenyl)-1-methoxybutan-2-amine 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

N-ethyl-4-(5-fluoro-2-nitrophenyl)-1-methoxybutan-2-amine
CID 62320198
2-(3-chloro-4-methoxybutyl)-4-fluoro-1-methylbenzene
CID 105374733
N-ethyl-1-(5-fluoro-2-methylphenyl)hexan-2-amine
CID 105374122
4-(3,5-dimethylphenyl)-N-ethyl-1-methoxybutan-2-amine
CID 62318913
4-(2-bromophenyl)-N-ethyl-1-methoxybutan-2-amine
CID 62318544
1-(5-fluoro-2-methylphenyl)-N-propylheptan-4-amine
CID 105375522
N-ethyl-4-(2-fluoro-3-nitrophenyl)-1-methoxybutan-2-amine
CID 107350053
N-ethyl-1-(3-fluorophenyl)-4-(2-methylphenyl)butan-2-amine
CID 62367606
4-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-1-methoxybutan-2-amine
CID 106152583
N-ethyl-1-(4-fluoro-2-nitrophenyl)-3-methoxypropan-2-amine
CID 63197736
1-(2-bromo-4-fluorophenyl)-N-ethylhexan-3-amine
CID 60996816
1-(2,4-difluorophenyl)-N-ethyl-5-methoxypentan-2-amine
CID 64559477

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(5-fluoro-2-methylphenyl)-1-methoxybutan-2-amine?
The IUPAC name of N-ethyl-4-(5-fluoro-2-methylphenyl)-1-methoxybutan-2-amine (CID 105372347) is N-ethyl-4-(5-fluoro-2-methylphenyl)-1-methoxybutan-2-amine.
What is the SMILES notation for N-ethyl-4-(5-fluoro-2-methylphenyl)-1-methoxybutan-2-amine?
The canonical SMILES for N-ethyl-4-(5-fluoro-2-methylphenyl)-1-methoxybutan-2-amine is CCNC(CCc1cc(F)ccc1C)COC.
What is the InChIKey of N-ethyl-4-(5-fluoro-2-methylphenyl)-1-methoxybutan-2-amine?
The InChIKey is XEMJSXRNLKNUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-16-14(10-17-3)8-6-12-9-13(15)7-5-11(12)2/h5,7,9,14,16H,4,6,8,10H2,1-3H3.
What are the key properties of N-ethyl-4-(5-fluoro-2-methylphenyl)-1-methoxybutan-2-amine?
N-ethyl-4-(5-fluoro-2-methylphenyl)-1-methoxybutan-2-amine has a molecular weight of 239.33 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(5-fluoro-2-methylphenyl)-1-methoxybutan-2-amine is sourced from PubChem (CID 105372347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).