2-[(3,4-difluorophenyl)methyl]-2-methylpentan-1-amine

C13H19F2N — CID 82930843

IUPAC2-[(3,4-difluorophenyl)methyl]-2-methylpentan-1-amine
SMILESCCCC(C)(CN)Cc1ccc(F)c(F)c1
InChIInChI=1S/C13H19F2N/c1-3-6-13(2,9-16)8-10-4-5-11(14)12(15)7-10/h4-5,7H,3,6,8-9,16H2,1-2H3
InChIKeyWHJNJTFLVXHPTN-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.27
Rot. Bonds5

About 2-[(3,4-difluorophenyl)methyl]-2-methylpentan-1-amine

2-[(3,4-difluorophenyl)methyl]-2-methylpentan-1-amine (PubChem CID 82930843) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methyl]-2-methylpentan-1-amine.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methyl]-2-methylpentan-1-amine
PubChem CID82930843
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-[(3,4-difluorophenyl)methyl]-2-methylpentan-1-amine
SMILESCCCC(C)(CN)Cc1ccc(F)c(F)c1
InChIInChI=1S/C13H19F2N/c1-3-6-13(2,9-16)8-10-4-5-11(14)12(15)7-10/h4-5,7H,3,6,8-9,16H2,1-2H3
InChIKeyWHJNJTFLVXHPTN-UHFFFAOYSA-N
XLogP3.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3,4-difluorophenyl)methyl]-2-ethylbutan-1-amine
CID 82929509
2-[(3,4-difluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 82929889
1-(3,4-difluorophenyl)-2-N',2-N'-dimethylpropane-2,2-diamine
CID 84752735
2-[(4-bromo-2-fluorophenyl)methyl]-2-methylpentan-1-amine
CID 62723295
4-(3,3-dimethylbutyl)-1,2-difluorobenzene
CID 59999811
1,2-difluoro-4-propylbenzene;methane
CID 160697343
2-[(3,4-difluorophenyl)methyl]-2-fluoro-3-methylbutan-1-amine
CID 112566729
2-[(3-methoxyphenyl)methyl]-2-methylpentan-1-amine
CID 62724090
5-(3,4-difluorophenyl)-2-methylpentan-2-amine
CID 116925212
2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 106506240
2-(3,4-difluorophenyl)ethanamine;hydrochloride
CID 66523804
N-tert-butyl-2-[(3-chloro-4-fluorophenyl)methyl]-2-methylpentan-1-amine
CID 103041062

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methyl]-2-methylpentan-1-amine?
The IUPAC name of 2-[(3,4-difluorophenyl)methyl]-2-methylpentan-1-amine (CID 82930843) is 2-[(3,4-difluorophenyl)methyl]-2-methylpentan-1-amine.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methyl]-2-methylpentan-1-amine?
The canonical SMILES for 2-[(3,4-difluorophenyl)methyl]-2-methylpentan-1-amine is CCCC(C)(CN)Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-[(3,4-difluorophenyl)methyl]-2-methylpentan-1-amine?
The InChIKey is WHJNJTFLVXHPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-3-6-13(2,9-16)8-10-4-5-11(14)12(15)7-10/h4-5,7H,3,6,8-9,16H2,1-2H3.
What are the key properties of 2-[(3,4-difluorophenyl)methyl]-2-methylpentan-1-amine?
2-[(3,4-difluorophenyl)methyl]-2-methylpentan-1-amine has a molecular weight of 227.30 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methyl]-2-methylpentan-1-amine is sourced from PubChem (CID 82930843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).