3-(3,4-dichlorophenyl)-3-fluoro-2-methylpropan-1-amine

C10H12Cl2FN — CID 130604698

IUPAC3-(3,4-dichlorophenyl)-3-fluoro-2-methylpropan-1-amine
SMILESCC(CN)C(F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2FN/c1-6(5-14)10(13)7-2-3-8(11)9(12)4-7/h2-4,6,10H,5,14H2,1H3
InChIKeyCJYKVMREQFETNU-UHFFFAOYSA-N
MW236.12 g/mol
LogP3.60
Rot. Bonds3

About 3-(3,4-dichlorophenyl)-3-fluoro-2-methylpropan-1-amine

3-(3,4-dichlorophenyl)-3-fluoro-2-methylpropan-1-amine (PubChem CID 130604698) has the molecular formula C10H12Cl2FN and a molecular weight of 236.12 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-3-fluoro-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-3-fluoro-2-methylpropan-1-amine
PubChem CID130604698
Molecular FormulaC10H12Cl2FN
Molecular Weight236.12 g/mol
Exact Mass235.03
IUPAC Name3-(3,4-dichlorophenyl)-3-fluoro-2-methylpropan-1-amine
SMILESCC(CN)C(F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2FN/c1-6(5-14)10(13)7-2-3-8(11)9(12)4-7/h2-4,6,10H,5,14H2,1H3
InChIKeyCJYKVMREQFETNU-UHFFFAOYSA-N
XLogP3.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.12
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)-3-fluoro-2-methylpropan-1-amine
CID 105453998
3-(3-chlorophenyl)-3-fluoro-2-methylpropan-1-amine
CID 105453999
1-(3,4-dichlorophenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948774
3-fluoro-3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-amine
CID 130604689
(1S)-1-(3,4-dichlorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171220910
2-[(3-chloro-4-methylphenyl)-fluoromethyl]-3-methylbutan-1-amine
CID 107561213
1-(3,4-dichlorophenyl)-3-methylbutane-1,4-diamine
CID 116934237
CID 87727172
CID 87727172
1-(3,4-dichlorophenyl)-N,N-dimethylethane-1,2-diamine
CID 16789744
4-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-amine
CID 81014897
3-(2-chlorophenyl)-3-fluoro-2-methylpropan-1-amine
CID 105454000
1-(3,4-dichlorophenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43273492

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-3-fluoro-2-methylpropan-1-amine?
The IUPAC name of 3-(3,4-dichlorophenyl)-3-fluoro-2-methylpropan-1-amine (CID 130604698) is 3-(3,4-dichlorophenyl)-3-fluoro-2-methylpropan-1-amine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-3-fluoro-2-methylpropan-1-amine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-3-fluoro-2-methylpropan-1-amine is CC(CN)C(F)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-3-fluoro-2-methylpropan-1-amine?
The InChIKey is CJYKVMREQFETNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2FN/c1-6(5-14)10(13)7-2-3-8(11)9(12)4-7/h2-4,6,10H,5,14H2,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-3-fluoro-2-methylpropan-1-amine?
3-(3,4-dichlorophenyl)-3-fluoro-2-methylpropan-1-amine has a molecular weight of 236.12 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-3-fluoro-2-methylpropan-1-amine is sourced from PubChem (CID 130604698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).