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

C12H19FN2O — CID 115196753

IUPAC1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]propane-1,2-diamine
SMILESCOc1ccc(F)cc1CCNCC(C)N
InChIInChI=1S/C12H19FN2O/c1-9(14)8-15-6-5-10-7-11(13)3-4-12(10)16-2/h3-4,7,9,15H,5-6,8,14H2,1-2H3
InChIKeyUTLRYHATGABZSI-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.31
Rot. Bonds6

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

1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]propane-1,2-diamine (PubChem CID 115196753) has the molecular formula C12H19FN2O and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]propane-1,2-diamine
PubChem CID115196753
Molecular FormulaC12H19FN2O
Molecular Weight226.30 g/mol
Exact Mass226.15
IUPAC Name1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]propane-1,2-diamine
SMILESCOc1ccc(F)cc1CCNCC(C)N
InChIInChI=1S/C12H19FN2O/c1-9(14)8-15-6-5-10-7-11(13)3-4-12(10)16-2/h3-4,7,9,15H,5-6,8,14H2,1-2H3
InChIKeyUTLRYHATGABZSI-UHFFFAOYSA-N
XLogP1.31
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]pentane-1,4-diamine
CID 115203997
1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136113
N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylmethanediamine
CID 115227132
N-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115205971
1-N-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine
CID 115196243
3-(5-fluoro-2-methoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 82782140
5-(5-fluoro-2-methoxyphenyl)-N-[5-(5-fluoro-2-methoxyphenyl)pentyl]pentan-1-amine
CID 143286054
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
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
N'-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,3-diamine
CID 115198802
2-amino-3-[2-(2-methoxy-5-methylphenyl)ethylamino]propanoic acid
CID 115240818

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]propane-1,2-diamine?
The IUPAC name of 1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]propane-1,2-diamine (CID 115196753) is 1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]propane-1,2-diamine?
The canonical SMILES for 1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]propane-1,2-diamine is COc1ccc(F)cc1CCNCC(C)N.
What is the InChIKey of 1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]propane-1,2-diamine?
The InChIKey is UTLRYHATGABZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-9(14)8-15-6-5-10-7-11(13)3-4-12(10)16-2/h3-4,7,9,15H,5-6,8,14H2,1-2H3.
What are the key properties of 1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]propane-1,2-diamine?
1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]propane-1,2-diamine has a molecular weight of 226.30 g/mol, XLogP of 1.31, 6 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]propane-1,2-diamine is sourced from PubChem (CID 115196753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).