1-(5-chloro-2-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine

C16H23ClFN — CID 103052942

IUPAC1-(5-chloro-2-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1cc(Cl)ccc1F)C(C)C1CC1
InChIInChI=1S/C16H23ClFN/c1-3-8-19-16(11(2)12-4-5-12)10-13-9-14(17)6-7-15(13)18/h6-7,9,11-12,16,19H,3-5,8,10H2,1-2H3
InChIKeyNBHPCHYFIMSAIE-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.44
Rot. Bonds7

About 1-(5-chloro-2-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine

1-(5-chloro-2-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine (PubChem CID 103052942) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine
PubChem CID103052942
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC Name1-(5-chloro-2-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1cc(Cl)ccc1F)C(C)C1CC1
InChIInChI=1S/C16H23ClFN/c1-3-8-19-16(11(2)12-4-5-12)10-13-9-14(17)6-7-15(13)18/h6-7,9,11-12,16,19H,3-5,8,10H2,1-2H3
InChIKeyNBHPCHYFIMSAIE-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-(2-chloro-5-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 102623040
1-(3-chloro-4-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 103043171
3-cyclopropyl-1-(3-fluorophenyl)-N-propylbutan-2-amine
CID 83154233
N-[2-(5-chloro-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 103052831
N-[2-(4-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 114855459
1-(5-chloro-2-fluorophenyl)-3-(oxan-2-yl)-N-propylpropan-2-amine
CID 103049082
1-(5-bromo-2-methoxyphenyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 115817611
3-cyclopropyl-N-ethyl-1-(5-fluoro-2-methylphenyl)butan-2-amine
CID 105377444
1-(4-chlorophenyl)-2-cyclopropyl-N-propylpropan-1-amine
CID 83155271
N-[2-(5-chloro-2-fluorophenyl)-1-pyrimidin-5-ylethyl]propan-1-amine
CID 103053234
1-(5-chloro-2-fluorophenyl)-N-propyl-3-pyridin-4-ylpropan-2-amine
CID 103048600
N-[2-(5-chloro-2-fluorophenyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]propan-1-amine
CID 103048687

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine (CID 103052942) is 1-(5-chloro-2-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine is CCCNC(Cc1cc(Cl)ccc1F)C(C)C1CC1.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine?
The InChIKey is NBHPCHYFIMSAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-3-8-19-16(11(2)12-4-5-12)10-13-9-14(17)6-7-15(13)18/h6-7,9,11-12,16,19H,3-5,8,10H2,1-2H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine?
1-(5-chloro-2-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-(5-chloro-2-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine is sourced from PubChem (CID 103052942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).