4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine

C12H19FN2O — CID 103387248

IUPAC4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)Nc1ccc(F)cc1
InChIInChI=1S/C12H19FN2O/c1-16-9-12(3-2-8-14)15-11-6-4-10(13)5-7-11/h4-7,12,15H,2-3,8-9,14H2,1H3
InChIKeyFMPHYGOMVYUNLW-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.99
Rot. Bonds7

About 4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine

4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine (PubChem CID 103387248) has the molecular formula C12H19FN2O and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine
PubChem CID103387248
Molecular FormulaC12H19FN2O
Molecular Weight226.30 g/mol
Exact Mass226.15
IUPAC Name4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)Nc1ccc(F)cc1
InChIInChI=1S/C12H19FN2O/c1-16-9-12(3-2-8-14)15-11-6-4-10(13)5-7-11/h4-7,12,15H,2-3,8-9,14H2,1H3
InChIKeyFMPHYGOMVYUNLW-UHFFFAOYSA-N
XLogP1.99
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(4-fluoro-2-methylphenyl)-5-methoxypentane-1,4-diamine
CID 103387298
4-[(5-amino-1-methoxypentan-2-yl)amino]-N-methylbenzamide
CID 103388125
5-methoxy-4-N-(4-pyrrolidin-1-ylphenyl)pentane-1,4-diamine
CID 103388717
4-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methoxypentane-1,4-diamine
CID 103389195
ethyl 4-[(5-amino-1-methoxypentan-2-yl)amino]benzoate
CID 103387754
2-[4-[(5-amino-1-methoxypentan-2-yl)amino]phenoxy]acetamide
CID 103388398
4-N-[4-(1H-imidazol-5-yl)phenyl]-5-methoxypentane-1,4-diamine
CID 103388549
N-[5-[(5-amino-1-methoxypentan-2-yl)amino]-2-fluorophenyl]methanesulfonamide
CID 103388710
5-methoxy-4-N-(1H-pyrazol-4-yl)pentane-1,4-diamine
CID 103387849
N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-4-fluorophenyl]acetamide
CID 103387932
4-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-methoxypentane-1,4-diamine
CID 103389279
4-N-(4-bromo-2,6-difluorophenyl)-5-methoxypentane-1,4-diamine
CID 103390195

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine?
The IUPAC name of 4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine (CID 103387248) is 4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine.
What is the SMILES notation for 4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine?
The canonical SMILES for 4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine is COCC(CCCN)Nc1ccc(F)cc1.
What is the InChIKey of 4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine?
The InChIKey is FMPHYGOMVYUNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-16-9-12(3-2-8-14)15-11-6-4-10(13)5-7-11/h4-7,12,15H,2-3,8-9,14H2,1H3.
What are the key properties of 4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine?
4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine has a molecular weight of 226.30 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine is sourced from PubChem (CID 103387248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).