N-[(4-fluoro-2-methylphenyl)methyl]-4-methoxybutan-1-amine

C13H20FNO — CID 62134113

IUPACN-[(4-fluoro-2-methylphenyl)methyl]-4-methoxybutan-1-amine
SMILESCOCCCCNCc1ccc(F)cc1C
InChIInChI=1S/C13H20FNO/c1-11-9-13(14)6-5-12(11)10-15-7-3-4-8-16-2/h5-6,9,15H,3-4,7-8,10H2,1-2H3
InChIKeyODSYXAQNSREIBW-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.65
Rot. Bonds7

About N-[(4-fluoro-2-methylphenyl)methyl]-4-methoxybutan-1-amine

N-[(4-fluoro-2-methylphenyl)methyl]-4-methoxybutan-1-amine (PubChem CID 62134113) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylphenyl)methyl]-4-methoxybutan-1-amine.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylphenyl)methyl]-4-methoxybutan-1-amine
PubChem CID62134113
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC NameN-[(4-fluoro-2-methylphenyl)methyl]-4-methoxybutan-1-amine
SMILESCOCCCCNCc1ccc(F)cc1C
InChIInChI=1S/C13H20FNO/c1-11-9-13(14)6-5-12(11)10-15-7-3-4-8-16-2/h5-6,9,15H,3-4,7-8,10H2,1-2H3
InChIKeyODSYXAQNSREIBW-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.65
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-[(2-chloro-4-fluorophenyl)methyl]-5-methoxypentan-1-amine
CID 103792840
N-[(4-fluoro-2-methylphenyl)methyl]-5-iodopentan-1-amine
CID 107320083
N-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 62134218
N-[(2-chloro-5-fluorophenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine
CID 102615947
N-[(3-fluoro-4-methylphenyl)methyl]-5-methoxypentan-1-amine
CID 103654079
N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxypentan-1-amine
CID 113232261
N-[(2,3-difluoro-4-methylphenyl)methyl]-2-methoxyethanamine
CID 107513371
N-[(4-fluoro-2-methylphenyl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65048786
2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-3-methylbutan-1-amine
CID 114349189
N-[(4-fluoro-2-methylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 62134095
N-[(4-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570448
N-[(5-fluoro-2-heptoxyphenyl)methyl]-2-methoxyethanamine
CID 107696956

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-4-methoxybutan-1-amine?
The IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-4-methoxybutan-1-amine (CID 62134113) is N-[(4-fluoro-2-methylphenyl)methyl]-4-methoxybutan-1-amine.
What is the SMILES notation for N-[(4-fluoro-2-methylphenyl)methyl]-4-methoxybutan-1-amine?
The canonical SMILES for N-[(4-fluoro-2-methylphenyl)methyl]-4-methoxybutan-1-amine is COCCCCNCc1ccc(F)cc1C.
What is the InChIKey of N-[(4-fluoro-2-methylphenyl)methyl]-4-methoxybutan-1-amine?
The InChIKey is ODSYXAQNSREIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-11-9-13(14)6-5-12(11)10-15-7-3-4-8-16-2/h5-6,9,15H,3-4,7-8,10H2,1-2H3.
What are the key properties of N-[(4-fluoro-2-methylphenyl)methyl]-4-methoxybutan-1-amine?
N-[(4-fluoro-2-methylphenyl)methyl]-4-methoxybutan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylphenyl)methyl]-4-methoxybutan-1-amine is sourced from PubChem (CID 62134113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).