3-chloro-N-(1-cyclopropylpropyl)-5-fluoroaniline

C12H15ClFN — CID 107364173

IUPAC3-chloro-N-(1-cyclopropylpropyl)-5-fluoroaniline
SMILESCCC(Nc1cc(F)cc(Cl)c1)C1CC1
InChIInChI=1S/C12H15ClFN/c1-2-12(8-3-4-8)15-11-6-9(13)5-10(14)7-11/h5-8,12,15H,2-4H2,1H3
InChIKeyFZSYUQGUSMVRLH-UHFFFAOYSA-N
MW227.71 g/mol
LogP4.08
Rot. Bonds4

About 3-chloro-N-(1-cyclopropylpropyl)-5-fluoroaniline

3-chloro-N-(1-cyclopropylpropyl)-5-fluoroaniline (PubChem CID 107364173) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is 3-chloro-N-(1-cyclopropylpropyl)-5-fluoroaniline.

Molecular Properties

Compound Name3-chloro-N-(1-cyclopropylpropyl)-5-fluoroaniline
PubChem CID107364173
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name3-chloro-N-(1-cyclopropylpropyl)-5-fluoroaniline
SMILESCCC(Nc1cc(F)cc(Cl)c1)C1CC1
InChIInChI=1S/C12H15ClFN/c1-2-12(8-3-4-8)15-11-6-9(13)5-10(14)7-11/h5-8,12,15H,2-4H2,1H3
InChIKeyFZSYUQGUSMVRLH-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-chloro-N-(1-cyclopropylpropyl)-5-fluoroaniline 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

N-(1-cyclopropylpropyl)-4-fluoroaniline
CID 64918794
3-(1-cyclohexylpropylamino)-5-fluorobenzonitrile
CID 102816195
3,5-dichloro-N-(1-cyclopropyl-4-methylpentyl)aniline
CID 114275891
4-bromo-N-(1-cyclopropylpropyl)-3-fluoroaniline
CID 65436466
N-(1-cyclopropylpropyl)aniline;hydrochloride
CID 174269039
5-(1-cyclopropylpropylamino)-2-fluorobenzamide
CID 64917346
2-(3-fluoro-5-methylanilino)-2-(4-methylcyclohexyl)ethanol
CID 79047274
N-(1-cyclopropylpropyl)-3-fluoro-4-methoxyaniline
CID 64918809
3-chloro-5-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 107364032
2-[1-(3-chloro-5-fluoroanilino)propyl]phenol
CID 104925443
4-(1-cyclopropylpropylamino)phenol
CID 64918837
3-chloro-5-fluoro-N-(4-propylcyclohexyl)aniline
CID 107364276

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-cyclopropylpropyl)-5-fluoroaniline?
The IUPAC name of 3-chloro-N-(1-cyclopropylpropyl)-5-fluoroaniline (CID 107364173) is 3-chloro-N-(1-cyclopropylpropyl)-5-fluoroaniline.
What is the SMILES notation for 3-chloro-N-(1-cyclopropylpropyl)-5-fluoroaniline?
The canonical SMILES for 3-chloro-N-(1-cyclopropylpropyl)-5-fluoroaniline is CCC(Nc1cc(F)cc(Cl)c1)C1CC1.
What is the InChIKey of 3-chloro-N-(1-cyclopropylpropyl)-5-fluoroaniline?
The InChIKey is FZSYUQGUSMVRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c1-2-12(8-3-4-8)15-11-6-9(13)5-10(14)7-11/h5-8,12,15H,2-4H2,1H3.
What are the key properties of 3-chloro-N-(1-cyclopropylpropyl)-5-fluoroaniline?
3-chloro-N-(1-cyclopropylpropyl)-5-fluoroaniline has a molecular weight of 227.71 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-cyclopropylpropyl)-5-fluoroaniline is sourced from PubChem (CID 107364173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).