1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]pentane-1,4-diamine

C14H23FN2O — CID 115203997

IUPAC1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]pentane-1,4-diamine
SMILESCOc1ccc(F)cc1CCNCCCC(C)N
InChIInChI=1S/C14H23FN2O/c1-11(16)4-3-8-17-9-7-12-10-13(15)5-6-14(12)18-2/h5-6,10-11,17H,3-4,7-9,16H2,1-2H3
InChIKeyQDWBBXFOTXOSCW-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.09
Rot. Bonds8

About 1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]pentane-1,4-diamine

1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]pentane-1,4-diamine (PubChem CID 115203997) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]pentane-1,4-diamine
PubChem CID115203997
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]pentane-1,4-diamine
SMILESCOc1ccc(F)cc1CCNCCCC(C)N
InChIInChI=1S/C14H23FN2O/c1-11(16)4-3-8-17-9-7-12-10-13(15)5-6-14(12)18-2/h5-6,10-11,17H,3-4,7-9,16H2,1-2H3
InChIKeyQDWBBXFOTXOSCW-UHFFFAOYSA-N
XLogP2.09
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]pentane-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

1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]propane-1,2-diamine
CID 115196753
5-(5-fluoro-2-methoxyphenyl)-N-[5-(5-fluoro-2-methoxyphenyl)pentyl]pentan-1-amine
CID 143286054
N-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115205971
1-N-[2-(5-chloro-2-methoxyphenyl)ethyl]butane-1,3-diamine
CID 115199496
5-[2-(5-fluoro-2-methoxyphenyl)ethylamino]pentan-2-one
CID 115236659
N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylmethanediamine
CID 115227132
1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136113
3-(5-fluoro-2-methoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 82782140
5-(2-methoxy-5-methylphenyl)pentan-2-amine
CID 64505046
1-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butane-1,3-diamine
CID 115199539
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
1-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]pentane-1,4-diamine
CID 115204032

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]pentane-1,4-diamine?
The IUPAC name of 1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]pentane-1,4-diamine (CID 115203997) is 1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]pentane-1,4-diamine.
What is the SMILES notation for 1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]pentane-1,4-diamine?
The canonical SMILES for 1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]pentane-1,4-diamine is COc1ccc(F)cc1CCNCCCC(C)N.
What is the InChIKey of 1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]pentane-1,4-diamine?
The InChIKey is QDWBBXFOTXOSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-11(16)4-3-8-17-9-7-12-10-13(15)5-6-14(12)18-2/h5-6,10-11,17H,3-4,7-9,16H2,1-2H3.
What are the key properties of 1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]pentane-1,4-diamine?
1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]pentane-1,4-diamine has a molecular weight of 254.35 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]pentane-1,4-diamine is sourced from PubChem (CID 115203997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).