N-[[3-(1,1-difluoropropyl)phenyl]methyl]-2,2-difluorobutan-1-amine

C14H19F4N — CID 163372499

IUPACN-[[3-(1,1-difluoropropyl)phenyl]methyl]-2,2-difluorobutan-1-amine
SMILESCCC(F)(F)CNCc1cccc(C(F)(F)CC)c1
InChIInChI=1S/C14H19F4N/c1-3-13(15,16)10-19-9-11-6-5-7-12(8-11)14(17,18)4-2/h5-8,19H,3-4,9-10H2,1-2H3
InChIKeyNWELHJVNCIAEIW-UHFFFAOYSA-N
MW277.31 g/mol
LogP4.32
Rot. Bonds7

About N-[[3-(1,1-difluoropropyl)phenyl]methyl]-2,2-difluorobutan-1-amine

N-[[3-(1,1-difluoropropyl)phenyl]methyl]-2,2-difluorobutan-1-amine (PubChem CID 163372499) has the molecular formula C14H19F4N and a molecular weight of 277.31 g/mol. Its IUPAC name is N-[[3-(1,1-difluoropropyl)phenyl]methyl]-2,2-difluorobutan-1-amine.

Molecular Properties

Compound NameN-[[3-(1,1-difluoropropyl)phenyl]methyl]-2,2-difluorobutan-1-amine
PubChem CID163372499
Molecular FormulaC14H19F4N
Molecular Weight277.31 g/mol
Exact Mass277.15
IUPAC NameN-[[3-(1,1-difluoropropyl)phenyl]methyl]-2,2-difluorobutan-1-amine
SMILESCCC(F)(F)CNCc1cccc(C(F)(F)CC)c1
InChIInChI=1S/C14H19F4N/c1-3-13(15,16)10-19-9-11-6-5-7-12(8-11)14(17,18)4-2/h5-8,19H,3-4,9-10H2,1-2H3
InChIKeyNWELHJVNCIAEIW-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-(chloromethyl)phenyl]methyl]-2,2-difluoro-2-phenylethanamine
CID 116790548
1,1-bis(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol;hydrochloride
CID 138111629
2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 104643670
2-[3-(1,1-difluoropropyl)phenyl]propan-2-amine
CID 116992517
2-methylidene-N-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 66045680
N-[(3-bromo-4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 105400992
3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]benzamide
CID 113462736
2,2-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 78910480
2-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 106451262
2,2-difluoro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-phenylethanamine
CID 116789196
N-[[3-(2,3-dimethylbutan-2-yl)phenyl]methyl]ethanamine
CID 166969949
N-(1H-pyrrol-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 55021234

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1,1-difluoropropyl)phenyl]methyl]-2,2-difluorobutan-1-amine?
The IUPAC name of N-[[3-(1,1-difluoropropyl)phenyl]methyl]-2,2-difluorobutan-1-amine (CID 163372499) is N-[[3-(1,1-difluoropropyl)phenyl]methyl]-2,2-difluorobutan-1-amine.
What is the SMILES notation for N-[[3-(1,1-difluoropropyl)phenyl]methyl]-2,2-difluorobutan-1-amine?
The canonical SMILES for N-[[3-(1,1-difluoropropyl)phenyl]methyl]-2,2-difluorobutan-1-amine is CCC(F)(F)CNCc1cccc(C(F)(F)CC)c1.
What is the InChIKey of N-[[3-(1,1-difluoropropyl)phenyl]methyl]-2,2-difluorobutan-1-amine?
The InChIKey is NWELHJVNCIAEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4N/c1-3-13(15,16)10-19-9-11-6-5-7-12(8-11)14(17,18)4-2/h5-8,19H,3-4,9-10H2,1-2H3.
What are the key properties of N-[[3-(1,1-difluoropropyl)phenyl]methyl]-2,2-difluorobutan-1-amine?
N-[[3-(1,1-difluoropropyl)phenyl]methyl]-2,2-difluorobutan-1-amine has a molecular weight of 277.31 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1,1-difluoropropyl)phenyl]methyl]-2,2-difluorobutan-1-amine is sourced from PubChem (CID 163372499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).