1-(2-chloro-3-fluorophenyl)-N,4-dimethylpentan-2-amine

C13H19ClFN — CID 112653598

IUPAC1-(2-chloro-3-fluorophenyl)-N,4-dimethylpentan-2-amine
SMILESCNC(Cc1cccc(F)c1Cl)CC(C)C
InChIInChI=1S/C13H19ClFN/c1-9(2)7-11(16-3)8-10-5-4-6-12(15)13(10)14/h4-6,9,11,16H,7-8H2,1-3H3
InChIKeyBVAUXRICKMSGSG-UHFFFAOYSA-N
MW243.75 g/mol
LogP3.66
Rot. Bonds5

About 1-(2-chloro-3-fluorophenyl)-N,4-dimethylpentan-2-amine

1-(2-chloro-3-fluorophenyl)-N,4-dimethylpentan-2-amine (PubChem CID 112653598) has the molecular formula C13H19ClFN and a molecular weight of 243.75 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-N,4-dimethylpentan-2-amine
PubChem CID112653598
Molecular FormulaC13H19ClFN
Molecular Weight243.75 g/mol
Exact Mass243.12
IUPAC Name1-(2-chloro-3-fluorophenyl)-N,4-dimethylpentan-2-amine
SMILESCNC(Cc1cccc(F)c1Cl)CC(C)C
InChIInChI=1S/C13H19ClFN/c1-9(2)7-11(16-3)8-10-5-4-6-12(15)13(10)14/h4-6,9,11,16H,7-8H2,1-3H3
InChIKeyBVAUXRICKMSGSG-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.75
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-3-fluorophenyl)-4-methyl-N-propylpentan-2-amine
CID 112653600
[1-(2-chloro-3-fluorophenyl)-4-methylpentan-2-yl]hydrazine
CID 105198841
1-(2-chloro-3-fluorophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
CID 115983977
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 115983710
1-(2-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)-N-methylpropan-2-amine
CID 115983713
1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine
CID 112653814
1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032290
1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 115983844
2-(2-chloro-3-fluorophenyl)-N-methyl-1-phenylethanamine
CID 112653601
3-(2-chloro-3-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine
CID 104845341
2-(2-chloro-3-fluorophenyl)-1-(furan-2-yl)-N-methylethanamine
CID 112653682
2-[(2-chloro-3-fluorophenyl)methyl]-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 115984227

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-N,4-dimethylpentan-2-amine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-N,4-dimethylpentan-2-amine (CID 112653598) is 1-(2-chloro-3-fluorophenyl)-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-N,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-N,4-dimethylpentan-2-amine is CNC(Cc1cccc(F)c1Cl)CC(C)C.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-N,4-dimethylpentan-2-amine?
The InChIKey is BVAUXRICKMSGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFN/c1-9(2)7-11(16-3)8-10-5-4-6-12(15)13(10)14/h4-6,9,11,16H,7-8H2,1-3H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-N,4-dimethylpentan-2-amine?
1-(2-chloro-3-fluorophenyl)-N,4-dimethylpentan-2-amine has a molecular weight of 243.75 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 112653598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).