4-(3,4-difluorophenyl)butan-2-amine;hydrochloride

C10H14ClF2N — CID 50988115

IUPAC4-(3,4-difluorophenyl)butan-2-amine;hydrochloride
SMILESCC(N)CCc1ccc(F)c(F)c1.Cl
InChIInChI=1S/C10H13F2N.ClH/c1-7(13)2-3-8-4-5-9(11)10(12)6-8;/h4-7H,2-3,13H2,1H3;1H
InChIKeyLBAGZASJLNIHPI-UHFFFAOYSA-N
MW221.68 g/mol
LogP2.67
Rot. Bonds3

About 4-(3,4-difluorophenyl)butan-2-amine;hydrochloride

4-(3,4-difluorophenyl)butan-2-amine;hydrochloride (PubChem CID 50988115) has the molecular formula C10H14ClF2N and a molecular weight of 221.68 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)butan-2-amine;hydrochloride.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)butan-2-amine;hydrochloride
PubChem CID50988115
Molecular FormulaC10H14ClF2N
Molecular Weight221.68 g/mol
Exact Mass221.08
IUPAC Name4-(3,4-difluorophenyl)butan-2-amine;hydrochloride
SMILESCC(N)CCc1ccc(F)c(F)c1.Cl
InChIInChI=1S/C10H13F2N.ClH/c1-7(13)2-3-8-4-5-9(11)10(12)6-8;/h4-7H,2-3,13H2,1H3;1H
InChIKeyLBAGZASJLNIHPI-UHFFFAOYSA-N
XLogP2.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.68
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-difluorophenyl)ethanamine;hydrochloride
CID 66523804
(2R)-4-(3-fluorophenyl)butan-2-amine
CID 22831507
(2S)-4-(3,4-dimethylphenyl)butan-2-amine
CID 42077524
1-amino-4-(3,4-difluorophenyl)butan-2-ol
CID 82282345
4-(3,4-difluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 82924989
4-[4-(4-chlorophenyl)phenyl]butan-2-amine
CID 82541976
4-(3-aminobutyl)-2-methylsulfanylaniline
CID 116998491
5-(3,4-difluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 65304479
3-(3,4-difluorophenyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 139022832
(2R)-4-naphthalen-2-ylbutan-2-amine
CID 131577314
1,2-difluoro-4-propylbenzene;methane
CID 160697343
N-(4-aminopentyl)-2-(3,4-difluorophenyl)acetamide
CID 106122221

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)butan-2-amine;hydrochloride?
The IUPAC name of 4-(3,4-difluorophenyl)butan-2-amine;hydrochloride (CID 50988115) is 4-(3,4-difluorophenyl)butan-2-amine;hydrochloride.
What is the SMILES notation for 4-(3,4-difluorophenyl)butan-2-amine;hydrochloride?
The canonical SMILES for 4-(3,4-difluorophenyl)butan-2-amine;hydrochloride is CC(N)CCc1ccc(F)c(F)c1.Cl.
What is the InChIKey of 4-(3,4-difluorophenyl)butan-2-amine;hydrochloride?
The InChIKey is LBAGZASJLNIHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N.ClH/c1-7(13)2-3-8-4-5-9(11)10(12)6-8;/h4-7H,2-3,13H2,1H3;1H.
What are the key properties of 4-(3,4-difluorophenyl)butan-2-amine;hydrochloride?
4-(3,4-difluorophenyl)butan-2-amine;hydrochloride has a molecular weight of 221.68 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)butan-2-amine;hydrochloride is sourced from PubChem (CID 50988115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).