1-(3-chloro-4-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine

C16H23ClFN — CID 103043171

IUPAC1-(3-chloro-4-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1ccc(F)c(Cl)c1)C(C)C1CC1
InChIInChI=1S/C16H23ClFN/c1-3-8-19-16(11(2)13-5-6-13)10-12-4-7-15(18)14(17)9-12/h4,7,9,11,13,16,19H,3,5-6,8,10H2,1-2H3
InChIKeyPYTXIRJPKVWFGJ-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.44
Rot. Bonds7

About 1-(3-chloro-4-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine

1-(3-chloro-4-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine (PubChem CID 103043171) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine
PubChem CID103043171
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1ccc(F)c(Cl)c1)C(C)C1CC1
InChIInChI=1S/C16H23ClFN/c1-3-8-19-16(11(2)13-5-6-13)10-12-4-7-15(18)14(17)9-12/h4,7,9,11,13,16,19H,3,5-6,8,10H2,1-2H3
InChIKeyPYTXIRJPKVWFGJ-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-methyl-N-propylbutan-2-amine
CID 103039834
1-(5-chloro-2-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 103052942
N-[2-(3-chloro-4-fluorophenyl)-1-cyclohexylethyl]propan-1-amine
CID 103039853
3-cyclopropyl-1-(3-fluorophenyl)-N-propylbutan-2-amine
CID 83154233
1-(2-chloro-5-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 102623040
3-cyclopropyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 115831160
1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine
CID 107891920
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 103040140
N-[2-(3-chloro-4-fluorophenyl)-1-(thian-2-yl)ethyl]propan-1-amine
CID 103040343
1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxy-N-propylpropan-2-amine
CID 116722711
1-(3-chloro-4-fluorophenyl)-3-(oxan-2-yl)-N-propylpropan-2-amine
CID 103040443
2-(3-chloro-4-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
CID 103039852

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine (CID 103043171) is 1-(3-chloro-4-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine is CCCNC(Cc1ccc(F)c(Cl)c1)C(C)C1CC1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine?
The InChIKey is PYTXIRJPKVWFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-3-8-19-16(11(2)13-5-6-13)10-12-4-7-15(18)14(17)9-12/h4,7,9,11,13,16,19H,3,5-6,8,10H2,1-2H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine?
1-(3-chloro-4-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine has a molecular weight of 283.82 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine is sourced from PubChem (CID 103043171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).