N-(1-cyclopropylpropyl)-4-fluoro-2-methoxyaniline

C13H18FNO — CID 64918639

IUPACN-(1-cyclopropylpropyl)-4-fluoro-2-methoxyaniline
SMILESCCC(Nc1ccc(F)cc1OC)C1CC1
InChIInChI=1S/C13H18FNO/c1-3-11(9-4-5-9)15-12-7-6-10(14)8-13(12)16-2/h6-9,11,15H,3-5H2,1-2H3
InChIKeyYWCWYMXEEOSRDG-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.43
Rot. Bonds5

About N-(1-cyclopropylpropyl)-4-fluoro-2-methoxyaniline

N-(1-cyclopropylpropyl)-4-fluoro-2-methoxyaniline (PubChem CID 64918639) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-(1-cyclopropylpropyl)-4-fluoro-2-methoxyaniline.

Molecular Properties

Compound NameN-(1-cyclopropylpropyl)-4-fluoro-2-methoxyaniline
PubChem CID64918639
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-(1-cyclopropylpropyl)-4-fluoro-2-methoxyaniline
SMILESCCC(Nc1ccc(F)cc1OC)C1CC1
InChIInChI=1S/C13H18FNO/c1-3-11(9-4-5-9)15-12-7-6-10(14)8-13(12)16-2/h6-9,11,15H,3-5H2,1-2H3
InChIKeyYWCWYMXEEOSRDG-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-cyclopropylpropyl)-4-fluoro-2-methoxyaniline 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)-2-methoxy-4-methylaniline
CID 64918846
N-(1-cyclopropylpropyl)-3-fluoro-4-methoxyaniline
CID 64918809
N-(1-cyclopropylpropyl)-3,4-dimethoxyaniline
CID 64919002
N-(1-cyclopropylpropyl)-4-fluoroaniline
CID 64918794
2-(4-fluoro-2-methoxyanilino)butanamide
CID 62900802
N-(1-cyclopropylpropyl)-2-(trifluoromethoxy)aniline
CID 64920294
N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoro-2-methoxyaniline
CID 63453951
2-(1-cyclohexylpropylamino)-5-fluorobenzonitrile
CID 55234496
N-(2-ethylbutyl)-4-fluoro-2-methoxyaniline
CID 60961963
N-[1-(4-chlorophenyl)propyl]-4-fluoro-2-methoxyaniline
CID 63455009
4-fluoro-2-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline
CID 115916579
N-butan-2-yl-4-fluoro-2-propan-2-yloxyaniline
CID 115976287

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropyl)-4-fluoro-2-methoxyaniline?
The IUPAC name of N-(1-cyclopropylpropyl)-4-fluoro-2-methoxyaniline (CID 64918639) is N-(1-cyclopropylpropyl)-4-fluoro-2-methoxyaniline.
What is the SMILES notation for N-(1-cyclopropylpropyl)-4-fluoro-2-methoxyaniline?
The canonical SMILES for N-(1-cyclopropylpropyl)-4-fluoro-2-methoxyaniline is CCC(Nc1ccc(F)cc1OC)C1CC1.
What is the InChIKey of N-(1-cyclopropylpropyl)-4-fluoro-2-methoxyaniline?
The InChIKey is YWCWYMXEEOSRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-3-11(9-4-5-9)15-12-7-6-10(14)8-13(12)16-2/h6-9,11,15H,3-5H2,1-2H3.
What are the key properties of N-(1-cyclopropylpropyl)-4-fluoro-2-methoxyaniline?
N-(1-cyclopropylpropyl)-4-fluoro-2-methoxyaniline has a molecular weight of 223.29 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropyl)-4-fluoro-2-methoxyaniline is sourced from PubChem (CID 64918639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).