2-benzyl-1-(3,4-difluorophenyl)butan-2-amine

C17H19F2N — CID 82920189

IUPAC2-benzyl-1-(3,4-difluorophenyl)butan-2-amine
SMILESCCC(N)(Cc1ccccc1)Cc1ccc(F)c(F)c1
InChIInChI=1S/C17H19F2N/c1-2-17(20,11-13-6-4-3-5-7-13)12-14-8-9-15(18)16(19)10-14/h3-10H,2,11-12,20H2,1H3
InChIKeyAQMMMYIKVXBMAT-UHFFFAOYSA-N
MW275.34 g/mol
LogP3.86
Rot. Bonds5

About 2-benzyl-1-(3,4-difluorophenyl)butan-2-amine

2-benzyl-1-(3,4-difluorophenyl)butan-2-amine (PubChem CID 82920189) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is 2-benzyl-1-(3,4-difluorophenyl)butan-2-amine.

Molecular Properties

Compound Name2-benzyl-1-(3,4-difluorophenyl)butan-2-amine
PubChem CID82920189
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name2-benzyl-1-(3,4-difluorophenyl)butan-2-amine
SMILESCCC(N)(Cc1ccccc1)Cc1ccc(F)c(F)c1
InChIInChI=1S/C17H19F2N/c1-2-17(20,11-13-6-4-3-5-7-13)12-14-8-9-15(18)16(19)10-14/h3-10H,2,11-12,20H2,1H3
InChIKeyAQMMMYIKVXBMAT-UHFFFAOYSA-N
XLogP3.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine
CID 79008622
2-benzyl-1-(3,4-dimethylphenyl)butan-2-amine
CID 79007492
3-benzylhexan-3-amine
CID 79007389
1-(3,4-difluorophenyl)-2-phenylpropan-2-amine
CID 82919895
2-[(3,4-difluorophenyl)methyl]-2-ethylbutan-1-amine
CID 82929509
2-[(3,4-difluorophenyl)methyl]-2-ethylbutanoic acid
CID 82919875
1-phenyl-2-(thiophen-3-ylmethyl)butan-2-amine
CID 79008468
2-(3,4-difluorophenyl)-1-phenylbutan-2-ol
CID 79008246
2-(4-fluoro-3-methylphenyl)-1-phenylbutan-2-amine
CID 79007872
2-(2-fluorophenyl)-1-phenylbutan-2-amine
CID 79007656
1-(3,4-difluorophenyl)-2-N',2-N'-dimethylpropane-2,2-diamine
CID 84752735
2-benzyl-1-(3-bromo-4-fluorophenyl)butan-2-ol
CID 79007506

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(3,4-difluorophenyl)butan-2-amine?
The IUPAC name of 2-benzyl-1-(3,4-difluorophenyl)butan-2-amine (CID 82920189) is 2-benzyl-1-(3,4-difluorophenyl)butan-2-amine.
What is the SMILES notation for 2-benzyl-1-(3,4-difluorophenyl)butan-2-amine?
The canonical SMILES for 2-benzyl-1-(3,4-difluorophenyl)butan-2-amine is CCC(N)(Cc1ccccc1)Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-benzyl-1-(3,4-difluorophenyl)butan-2-amine?
The InChIKey is AQMMMYIKVXBMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-2-17(20,11-13-6-4-3-5-7-13)12-14-8-9-15(18)16(19)10-14/h3-10H,2,11-12,20H2,1H3.
What are the key properties of 2-benzyl-1-(3,4-difluorophenyl)butan-2-amine?
2-benzyl-1-(3,4-difluorophenyl)butan-2-amine has a molecular weight of 275.34 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(3,4-difluorophenyl)butan-2-amine is sourced from PubChem (CID 82920189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).