2-fluoro-6-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]aniline

C14H23FN2O — CID 114125884

IUPAC2-fluoro-6-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]aniline
SMILESCOCCC(C)(C)CNCc1cccc(F)c1N
InChIInChI=1S/C14H23FN2O/c1-14(2,7-8-18-3)10-17-9-11-5-4-6-12(15)13(11)16/h4-6,17H,7-10,16H2,1-3H3
InChIKeyZMYRMZYUGIQGAY-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.56
Rot. Bonds7

About 2-fluoro-6-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]aniline

2-fluoro-6-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]aniline (PubChem CID 114125884) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-fluoro-6-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-fluoro-6-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]aniline
PubChem CID114125884
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name2-fluoro-6-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]aniline
SMILESCOCCC(C)(C)CNCc1cccc(F)c1N
InChIInChI=1S/C14H23FN2O/c1-14(2,7-8-18-3)10-17-9-11-5-4-6-12(15)13(11)16/h4-6,17H,7-10,16H2,1-3H3
InChIKeyZMYRMZYUGIQGAY-UHFFFAOYSA-N
XLogP2.56
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,3-difluorophenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 113434288
N-[(5-fluoro-2-methylphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104624967
1-[(2-bromo-3-fluorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol
CID 106255103
N-[(2,6-dimethylphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104625041
2-fluoro-6-[(2,3,3-trimethylbutylamino)methyl]aniline
CID 83143874
1-(2-amino-3-fluoroanilino)-4-methoxy-2-methylbutan-2-ol
CID 106250724
4-methoxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylbutan-1-amine
CID 104625005
5-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]-2-methylaniline
CID 114125893
N-[(2-bromo-4-methylphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104624998
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104625291
1-[(2,5-difluorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol
CID 113237042
3-fluoro-1-N-(2-methoxyethyl)benzene-1,2-diamine
CID 53255756

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]aniline?
The IUPAC name of 2-fluoro-6-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]aniline (CID 114125884) is 2-fluoro-6-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]aniline.
What is the SMILES notation for 2-fluoro-6-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]aniline?
The canonical SMILES for 2-fluoro-6-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]aniline is COCCC(C)(C)CNCc1cccc(F)c1N.
What is the InChIKey of 2-fluoro-6-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]aniline?
The InChIKey is ZMYRMZYUGIQGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-14(2,7-8-18-3)10-17-9-11-5-4-6-12(15)13(11)16/h4-6,17H,7-10,16H2,1-3H3.
What are the key properties of 2-fluoro-6-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]aniline?
2-fluoro-6-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]aniline has a molecular weight of 254.35 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]aniline is sourced from PubChem (CID 114125884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).