4-(2-chloro-3-fluorophenyl)-N-propylbutan-2-amine

C13H19ClFN — CID 112652633

IUPAC4-(2-chloro-3-fluorophenyl)-N-propylbutan-2-amine
SMILESCCCNC(C)CCc1cccc(F)c1Cl
InChIInChI=1S/C13H19ClFN/c1-3-9-16-10(2)7-8-11-5-4-6-12(15)13(11)14/h4-6,10,16H,3,7-9H2,1-2H3
InChIKeyBRRPWICHQIVLNP-UHFFFAOYSA-N
MW243.75 g/mol
LogP3.80
Rot. Bonds6

About 4-(2-chloro-3-fluorophenyl)-N-propylbutan-2-amine

4-(2-chloro-3-fluorophenyl)-N-propylbutan-2-amine (PubChem CID 112652633) has the molecular formula C13H19ClFN and a molecular weight of 243.75 g/mol. Its IUPAC name is 4-(2-chloro-3-fluorophenyl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(2-chloro-3-fluorophenyl)-N-propylbutan-2-amine
PubChem CID112652633
Molecular FormulaC13H19ClFN
Molecular Weight243.75 g/mol
Exact Mass243.12
IUPAC Name4-(2-chloro-3-fluorophenyl)-N-propylbutan-2-amine
SMILESCCCNC(C)CCc1cccc(F)c1Cl
InChIInChI=1S/C13H19ClFN/c1-3-9-16-10(2)7-8-11-5-4-6-12(15)13(11)14/h4-6,10,16H,3,7-9H2,1-2H3
InChIKeyBRRPWICHQIVLNP-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.75
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-chloro-3-fluorophenyl)-1-methoxy-N-propylbutan-2-amine
CID 112652674
1-(2-chloro-3-fluorophenyl)-4-methyl-N-propylpentan-2-amine
CID 112653600
1-(2-chloro-3-fluorophenyl)hexan-3-ol
CID 112654007
4-(2-chloro-3-fluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 112654588
2-chloro-1-(4-chlorohexyl)-3-fluorobenzene
CID 112654629
1-(2,3-difluorophenyl)-N-propylpropan-2-amine
CID 62601742
3-[(2-chloro-3-fluorophenyl)methylamino]butan-1-ol
CID 112652236
N-propyl-4-[2-(trifluoromethyl)phenyl]butan-2-amine
CID 64504717
2-chloro-1-(2-chloroethyl)-3-fluorobenzene
CID 126973948
1-chloro-N-[(2-chloro-3-fluorophenyl)methyl]propan-2-amine
CID 112654379
2-chloro-1-(3-chloro-4,4-dimethylpentyl)-3-fluorobenzene
CID 112654030
4-(2-chloro-3-fluorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 112655054

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-3-fluorophenyl)-N-propylbutan-2-amine?
The IUPAC name of 4-(2-chloro-3-fluorophenyl)-N-propylbutan-2-amine (CID 112652633) is 4-(2-chloro-3-fluorophenyl)-N-propylbutan-2-amine.
What is the SMILES notation for 4-(2-chloro-3-fluorophenyl)-N-propylbutan-2-amine?
The canonical SMILES for 4-(2-chloro-3-fluorophenyl)-N-propylbutan-2-amine is CCCNC(C)CCc1cccc(F)c1Cl.
What is the InChIKey of 4-(2-chloro-3-fluorophenyl)-N-propylbutan-2-amine?
The InChIKey is BRRPWICHQIVLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFN/c1-3-9-16-10(2)7-8-11-5-4-6-12(15)13(11)14/h4-6,10,16H,3,7-9H2,1-2H3.
What are the key properties of 4-(2-chloro-3-fluorophenyl)-N-propylbutan-2-amine?
4-(2-chloro-3-fluorophenyl)-N-propylbutan-2-amine has a molecular weight of 243.75 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-3-fluorophenyl)-N-propylbutan-2-amine is sourced from PubChem (CID 112652633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).