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

C16H23ClFN — CID 102623040

IUPAC1-(2-chloro-5-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1cc(F)ccc1Cl)C(C)C1CC1
InChIInChI=1S/C16H23ClFN/c1-3-8-19-16(11(2)12-4-5-12)10-13-9-14(18)6-7-15(13)17/h6-7,9,11-12,16,19H,3-5,8,10H2,1-2H3
InChIKeySQVLNKYJBSDQOU-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.44
Rot. Bonds7

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

1-(2-chloro-5-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine (PubChem CID 102623040) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine
PubChem CID102623040
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC Name1-(2-chloro-5-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1cc(F)ccc1Cl)C(C)C1CC1
InChIInChI=1S/C16H23ClFN/c1-3-8-19-16(11(2)12-4-5-12)10-13-9-14(18)6-7-15(13)17/h6-7,9,11-12,16,19H,3-5,8,10H2,1-2H3
InChIKeySQVLNKYJBSDQOU-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloro-2-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 103052942
3-cyclopropyl-N-ethyl-1-(5-fluoro-2-methylphenyl)butan-2-amine
CID 105377444
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-(2-chloro-5-fluorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 102618966
N-[2-(2-chloro-4-fluorophenyl)-1-cyclopropylethyl]propan-1-amine
CID 55095503
3-(2-chloro-5-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 102619358
N-[2-(2-chloro-4-fluorophenyl)-1-cycloheptylethyl]propan-1-amine
CID 65399267
1-(5-bromo-2-methoxyphenyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 115817611
N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(2-chloro-4-fluorophenyl)ethyl]propan-1-amine
CID 115840407
1-(5-fluoro-2-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 105373704
N-[1-(4-bromophenyl)-2-(2-chloro-5-fluorophenyl)ethyl]propan-1-amine
CID 102618475

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine (CID 102623040) is 1-(2-chloro-5-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine is CCCNC(Cc1cc(F)ccc1Cl)C(C)C1CC1.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine?
The InChIKey is SQVLNKYJBSDQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-3-8-19-16(11(2)12-4-5-12)10-13-9-14(18)6-7-15(13)17/h6-7,9,11-12,16,19H,3-5,8,10H2,1-2H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine?
1-(2-chloro-5-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-(2-chloro-5-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine is sourced from PubChem (CID 102623040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).