N-[(2,3-difluorophenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine

C14H21F2NO — CID 113434288

IUPACN-[(2,3-difluorophenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
SMILESCOCCC(C)(C)CNCc1cccc(F)c1F
InChIInChI=1S/C14H21F2NO/c1-14(2,7-8-18-3)10-17-9-11-5-4-6-12(15)13(11)16/h4-6,17H,7-10H2,1-3H3
InChIKeyPAKCXONPMZAQMI-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.12
Rot. Bonds7

About N-[(2,3-difluorophenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine

N-[(2,3-difluorophenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine (PubChem CID 113434288) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
PubChem CID113434288
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC NameN-[(2,3-difluorophenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
SMILESCOCCC(C)(C)CNCc1cccc(F)c1F
InChIInChI=1S/C14H21F2NO/c1-14(2,7-8-18-3)10-17-9-11-5-4-6-12(15)13(11)16/h4-6,17H,7-10H2,1-3H3
InChIKeyPAKCXONPMZAQMI-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]aniline
CID 114125884
N-[(2,3-difluorophenyl)methyl]-3-methoxypropan-1-amine
CID 43234451
1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60923656
1-[(2-bromo-3-fluorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol
CID 106255103
N-[(5-fluoro-2-methylphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104624967
N-[(2,6-dimethylphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104625041
N-[1-(2,3-difluorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104628826
2-(2,3-difluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 103824976
3-[(2,3-difluorophenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 115618231
N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)aniline
CID 102847298
1-(2,3-difluorophenyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol
CID 66003267
N-(5-chloro-2,2-dimethylpentyl)-2-(2,3-difluorophenyl)acetamide
CID 106144164

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine (CID 113434288) is N-[(2,3-difluorophenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine is COCCC(C)(C)CNCc1cccc(F)c1F.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine?
The InChIKey is PAKCXONPMZAQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-14(2,7-8-18-3)10-17-9-11-5-4-6-12(15)13(11)16/h4-6,17H,7-10H2,1-3H3.
What are the key properties of N-[(2,3-difluorophenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine?
N-[(2,3-difluorophenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine has a molecular weight of 257.32 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 113434288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).