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

C13H19F2N — CID 115630727

IUPACN-[(2,3-difluorophenyl)methyl]-3-methylpentan-3-amine
SMILESCCC(C)(CC)NCc1cccc(F)c1F
InChIInChI=1S/C13H19F2N/c1-4-13(3,5-2)16-9-10-7-6-8-11(14)12(10)15/h6-8,16H,4-5,9H2,1-3H3
InChIKeyDJEJZKXITOLGAE-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.63
Rot. Bonds5

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

N-[(2,3-difluorophenyl)methyl]-3-methylpentan-3-amine (PubChem CID 115630727) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-3-methylpentan-3-amine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-3-methylpentan-3-amine
PubChem CID115630727
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-[(2,3-difluorophenyl)methyl]-3-methylpentan-3-amine
SMILESCCC(C)(CC)NCc1cccc(F)c1F
InChIInChI=1S/C13H19F2N/c1-4-13(3,5-2)16-9-10-7-6-8-11(14)12(10)15/h6-8,16H,4-5,9H2,1-3H3
InChIKeyDJEJZKXITOLGAE-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2,3-difluorophenyl)methylamino]-3-methylbutan-1-ol
CID 111469141
2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]propan-2-amine
CID 103700276
1-(2,2-dimethylbutyl)-2,3-difluorobenzene
CID 135277265
2-[(3-methylpentan-3-ylamino)methyl]phenol
CID 115630759
1-chloro-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpentan-3-amine
CID 106167439
N-[(2,3-difluorophenyl)methyl]-2-ethyl-2-methylsulfanylbutan-1-amine
CID 113243609
4-(2,3-difluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 81021988
1-ethyl-2,3-difluorobenzene;methanamine
CID 143205868
N'-[(2,3-difluorophenyl)methyl]-N-propylpropane-1,3-diamine
CID 113410212
N-[(2,3-difluorophenyl)methyl]-4-methylsulfanylaniline
CID 43425578
3-(2,3-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 62723528
N-[(4-fluoro-3-methylphenyl)methyl]-3-methylpentan-3-amine
CID 115630753

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-3-methylpentan-3-amine?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-3-methylpentan-3-amine (CID 115630727) is N-[(2,3-difluorophenyl)methyl]-3-methylpentan-3-amine.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-3-methylpentan-3-amine?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-3-methylpentan-3-amine is CCC(C)(CC)NCc1cccc(F)c1F.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-3-methylpentan-3-amine?
The InChIKey is DJEJZKXITOLGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-4-13(3,5-2)16-9-10-7-6-8-11(14)12(10)15/h6-8,16H,4-5,9H2,1-3H3.
What are the key properties of N-[(2,3-difluorophenyl)methyl]-3-methylpentan-3-amine?
N-[(2,3-difluorophenyl)methyl]-3-methylpentan-3-amine has a molecular weight of 227.30 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-3-methylpentan-3-amine is sourced from PubChem (CID 115630727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).