4-N-(4-fluoro-2-methylphenyl)-5-methoxypentane-1,4-diamine

C13H21FN2O — CID 103387298

IUPAC4-N-(4-fluoro-2-methylphenyl)-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)Nc1ccc(F)cc1C
InChIInChI=1S/C13H21FN2O/c1-10-8-11(14)5-6-13(10)16-12(9-17-2)4-3-7-15/h5-6,8,12,16H,3-4,7,9,15H2,1-2H3
InChIKeyHYWJNYKMRHDPNE-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.30
Rot. Bonds7

About 4-N-(4-fluoro-2-methylphenyl)-5-methoxypentane-1,4-diamine

4-N-(4-fluoro-2-methylphenyl)-5-methoxypentane-1,4-diamine (PubChem CID 103387298) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 4-N-(4-fluoro-2-methylphenyl)-5-methoxypentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-fluoro-2-methylphenyl)-5-methoxypentane-1,4-diamine
PubChem CID103387298
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name4-N-(4-fluoro-2-methylphenyl)-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)Nc1ccc(F)cc1C
InChIInChI=1S/C13H21FN2O/c1-10-8-11(14)5-6-13(10)16-12(9-17-2)4-3-7-15/h5-6,8,12,16H,3-4,7,9,15H2,1-2H3
InChIKeyHYWJNYKMRHDPNE-UHFFFAOYSA-N
XLogP2.30
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-N-(4-fluoro-2-methylphenyl)-5-methoxypentane-1,4-diamine 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

4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine
CID 103387248
5-methoxy-4-N-(2-methoxy-4-methylphenyl)pentane-1,4-diamine
CID 103389291
5-methoxy-4-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]pentane-1,4-diamine
CID 103388781
5-methoxy-4-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentane-1,4-diamine
CID 103389254
4-N-(4-bromo-2-chlorophenyl)-5-methoxypentane-1,4-diamine
CID 103387782
5-methoxy-4-N-(2,4,5-trichlorophenyl)pentane-1,4-diamine
CID 103387083
N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-4-fluorophenyl]acetamide
CID 103387932
4-N-(4-bromo-2,6-difluorophenyl)-5-methoxypentane-1,4-diamine
CID 103390195
4-N-(5-chloro-2-methoxyphenyl)-5-methoxypentane-1,4-diamine
CID 103387175
4-N-(2-chloro-5-methoxyphenyl)-5-methoxypentane-1,4-diamine
CID 103389616
5-methoxy-4-N-naphthalen-1-ylpentane-1,4-diamine
CID 103387010
2-[(5-amino-1-methoxypentan-2-yl)amino]-5-(trifluoromethyl)benzonitrile
CID 103390794

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluoro-2-methylphenyl)-5-methoxypentane-1,4-diamine?
The IUPAC name of 4-N-(4-fluoro-2-methylphenyl)-5-methoxypentane-1,4-diamine (CID 103387298) is 4-N-(4-fluoro-2-methylphenyl)-5-methoxypentane-1,4-diamine.
What is the SMILES notation for 4-N-(4-fluoro-2-methylphenyl)-5-methoxypentane-1,4-diamine?
The canonical SMILES for 4-N-(4-fluoro-2-methylphenyl)-5-methoxypentane-1,4-diamine is COCC(CCCN)Nc1ccc(F)cc1C.
What is the InChIKey of 4-N-(4-fluoro-2-methylphenyl)-5-methoxypentane-1,4-diamine?
The InChIKey is HYWJNYKMRHDPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-10-8-11(14)5-6-13(10)16-12(9-17-2)4-3-7-15/h5-6,8,12,16H,3-4,7,9,15H2,1-2H3.
What are the key properties of 4-N-(4-fluoro-2-methylphenyl)-5-methoxypentane-1,4-diamine?
4-N-(4-fluoro-2-methylphenyl)-5-methoxypentane-1,4-diamine has a molecular weight of 240.32 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluoro-2-methylphenyl)-5-methoxypentane-1,4-diamine is sourced from PubChem (CID 103387298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).