2-benzyl-3,3-difluoro-2-methylpropan-1-amine

C11H15F2N — CID 84721110

IUPAC2-benzyl-3,3-difluoro-2-methylpropan-1-amine
SMILESCC(CN)(Cc1ccccc1)C(F)F
InChIInChI=1S/C11H15F2N/c1-11(8-14,10(12)13)7-9-5-3-2-4-6-9/h2-6,10H,7-8,14H2,1H3
InChIKeyMTHSRJMIGXIZHM-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.46
Rot. Bonds4

About 2-benzyl-3,3-difluoro-2-methylpropan-1-amine

2-benzyl-3,3-difluoro-2-methylpropan-1-amine (PubChem CID 84721110) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 2-benzyl-3,3-difluoro-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-benzyl-3,3-difluoro-2-methylpropan-1-amine
PubChem CID84721110
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name2-benzyl-3,3-difluoro-2-methylpropan-1-amine
SMILESCC(CN)(Cc1ccccc1)C(F)F
InChIInChI=1S/C11H15F2N/c1-11(8-14,10(12)13)7-9-5-3-2-4-6-9/h2-6,10H,7-8,14H2,1H3
InChIKeyMTHSRJMIGXIZHM-UHFFFAOYSA-N
XLogP2.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(aminomethyl)-3,3-difluoro-2-methylpropyl]phenol
CID 84723725
2-[(2-bromophenyl)methyl]-3,3-difluoro-2-methylpropan-1-amine
CID 84730326
(2-fluoro-2-methylpropyl)benzene
CID 14343442
2-methyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine
CID 114989368
3-fluoro-3-methyl-4-phenylbutan-1-amine
CID 83855362
3-methyl-1,4-diphenylbutane-2,2-diamine
CID 22904156
4-[3-(aminomethyl)-4,4-difluoro-3-methylbutyl]phenol
CID 84726135
2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 83160551
(2S)-2,3-dimethyl-1-phenylbutan-2-amine
CID 93299297
(4,4-difluoro-2,2-dimethylpentyl)benzene
CID 155030658
2,2-dimethylpropane;phenylmethanamine
CID 158787980
2-methyl-2-N-(2-methylpropyl)-3-phenylpropane-1,2-diamine
CID 65384350

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3,3-difluoro-2-methylpropan-1-amine?
The IUPAC name of 2-benzyl-3,3-difluoro-2-methylpropan-1-amine (CID 84721110) is 2-benzyl-3,3-difluoro-2-methylpropan-1-amine.
What is the SMILES notation for 2-benzyl-3,3-difluoro-2-methylpropan-1-amine?
The canonical SMILES for 2-benzyl-3,3-difluoro-2-methylpropan-1-amine is CC(CN)(Cc1ccccc1)C(F)F.
What is the InChIKey of 2-benzyl-3,3-difluoro-2-methylpropan-1-amine?
The InChIKey is MTHSRJMIGXIZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-11(8-14,10(12)13)7-9-5-3-2-4-6-9/h2-6,10H,7-8,14H2,1H3.
What are the key properties of 2-benzyl-3,3-difluoro-2-methylpropan-1-amine?
2-benzyl-3,3-difluoro-2-methylpropan-1-amine has a molecular weight of 199.24 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3,3-difluoro-2-methylpropan-1-amine is sourced from PubChem (CID 84721110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).