N-[(3,5-difluorophenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine

C15H23F2N — CID 102905457

IUPACN-[(3,5-difluorophenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNCc1cc(F)cc(F)c1)C(C)C
InChIInChI=1S/C15H23F2N/c1-10(2)15(11(3)4)9-18-8-12-5-13(16)7-14(17)6-12/h5-7,10-11,15,18H,8-9H2,1-4H3
InChIKeySWHBLIINRWZENC-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.98
Rot. Bonds6

About N-[(3,5-difluorophenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine

N-[(3,5-difluorophenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine (PubChem CID 102905457) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
PubChem CID102905457
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC NameN-[(3,5-difluorophenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNCc1cc(F)cc(F)c1)C(C)C
InChIInChI=1S/C15H23F2N/c1-10(2)15(11(3)4)9-18-8-12-5-13(16)7-14(17)6-12/h5-7,10-11,15,18H,8-9H2,1-4H3
InChIKeySWHBLIINRWZENC-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3,5-difluorophenyl)methylamino]-3-methylbutan-2-ol
CID 109481996
N-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904534
N-[(3,5-difluorophenyl)methyl]-3-methylbutan-1-amine
CID 21355559
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115767635
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904272
2-N-[(3,5-difluorophenyl)methyl]-3-methylbutane-1,2-diamine
CID 106345506
N-[(5-fluoro-3-pyridinyl)methyl]-2,3-dimethylbutan-1-amine
CID 104953752
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904164
N-[(3-fluorophenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252833
2-N-[(3,5-difluorophenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 113338404
N-[(3,5-difluorophenyl)methyl]-1-phenylmethanamine
CID 60752788
1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905470

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine (CID 102905457) is N-[(3,5-difluorophenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine is CC(C)C(CNCc1cc(F)cc(F)c1)C(C)C.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine?
The InChIKey is SWHBLIINRWZENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-10(2)15(11(3)4)9-18-8-12-5-13(16)7-14(17)6-12/h5-7,10-11,15,18H,8-9H2,1-4H3.
What are the key properties of N-[(3,5-difluorophenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine?
N-[(3,5-difluorophenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine has a molecular weight of 255.35 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102905457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).