4-(2-chloro-5-fluorophenyl)-2-methylpentan-2-amine

C12H17ClFN — CID 83911513

IUPAC4-(2-chloro-5-fluorophenyl)-2-methylpentan-2-amine
SMILESCC(CC(C)(C)N)c1cc(F)ccc1Cl
InChIInChI=1S/C12H17ClFN/c1-8(7-12(2,3)15)10-6-9(14)4-5-11(10)13/h4-6,8H,7,15H2,1-3H3
InChIKeyBCYACRPUVXEVSM-UHFFFAOYSA-N
MW229.73 g/mol
LogP3.71
Rot. Bonds3

About 4-(2-chloro-5-fluorophenyl)-2-methylpentan-2-amine

4-(2-chloro-5-fluorophenyl)-2-methylpentan-2-amine (PubChem CID 83911513) has the molecular formula C12H17ClFN and a molecular weight of 229.73 g/mol. Its IUPAC name is 4-(2-chloro-5-fluorophenyl)-2-methylpentan-2-amine.

Molecular Properties

Compound Name4-(2-chloro-5-fluorophenyl)-2-methylpentan-2-amine
PubChem CID83911513
Molecular FormulaC12H17ClFN
Molecular Weight229.73 g/mol
Exact Mass229.10
IUPAC Name4-(2-chloro-5-fluorophenyl)-2-methylpentan-2-amine
SMILESCC(CC(C)(C)N)c1cc(F)ccc1Cl
InChIInChI=1S/C12H17ClFN/c1-8(7-12(2,3)15)10-6-9(14)4-5-11(10)13/h4-6,8H,7,15H2,1-3H3
InChIKeyBCYACRPUVXEVSM-UHFFFAOYSA-N
XLogP3.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-fluorophenyl)-2-methylpentan-2-amine
CID 83907847
[1-(2-chloro-5-fluorophenyl)-3,3-dimethylbutyl]hydrazine
CID 105397818
1-(2-chloro-5-fluorophenyl)-3,5,5-trimethylhexan-1-amine
CID 105397495
1-(2,5-difluorophenyl)-3-methylbutane-1,3-diamine
CID 116933552
1-(2-chloro-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 105395209
(1R)-1-(2-chloro-5-fluorophenyl)-4-methylpentan-1-amine
CID 171204639
[1-(2-chloro-5-fluorophenyl)-2,2-dimethylpropyl]hydrazine
CID 105397762
(1R)-1-(2-chloro-5-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171204622
2-(2-chloro-4-fluorophenyl)propan-1-amine
CID 66438470
methyl 3-(2-chloro-5-fluorophenyl)butanoate
CID 171372743
3-amino-1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-ol
CID 83690027
2-amino-1-(2-chloro-5-fluorophenyl)ethanol
CID 82404297

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluorophenyl)-2-methylpentan-2-amine?
The IUPAC name of 4-(2-chloro-5-fluorophenyl)-2-methylpentan-2-amine (CID 83911513) is 4-(2-chloro-5-fluorophenyl)-2-methylpentan-2-amine.
What is the SMILES notation for 4-(2-chloro-5-fluorophenyl)-2-methylpentan-2-amine?
The canonical SMILES for 4-(2-chloro-5-fluorophenyl)-2-methylpentan-2-amine is CC(CC(C)(C)N)c1cc(F)ccc1Cl.
What is the InChIKey of 4-(2-chloro-5-fluorophenyl)-2-methylpentan-2-amine?
The InChIKey is BCYACRPUVXEVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFN/c1-8(7-12(2,3)15)10-6-9(14)4-5-11(10)13/h4-6,8H,7,15H2,1-3H3.
What are the key properties of 4-(2-chloro-5-fluorophenyl)-2-methylpentan-2-amine?
4-(2-chloro-5-fluorophenyl)-2-methylpentan-2-amine has a molecular weight of 229.73 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluorophenyl)-2-methylpentan-2-amine is sourced from PubChem (CID 83911513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).