4-(1,2-diaminoethyl)-5-fluoro-2-methoxyphenol

C9H13FN2O2 — CID 77131047

IUPAC4-(1,2-diaminoethyl)-5-fluoro-2-methoxyphenol
SMILESCOc1cc(C(N)CN)c(F)cc1O
InChIInChI=1S/C9H13FN2O2/c1-14-9-2-5(7(12)4-11)6(10)3-8(9)13/h2-3,7,13H,4,11-12H2,1H3
InChIKeyMNFYRBCIQXDHFY-UHFFFAOYSA-N
MW200.21 g/mol
LogP0.50
Rot. Bonds3

About 4-(1,2-diaminoethyl)-5-fluoro-2-methoxyphenol

4-(1,2-diaminoethyl)-5-fluoro-2-methoxyphenol (PubChem CID 77131047) has the molecular formula C9H13FN2O2 and a molecular weight of 200.21 g/mol. Its IUPAC name is 4-(1,2-diaminoethyl)-5-fluoro-2-methoxyphenol.

Molecular Properties

Compound Name4-(1,2-diaminoethyl)-5-fluoro-2-methoxyphenol
PubChem CID77131047
Molecular FormulaC9H13FN2O2
Molecular Weight200.21 g/mol
Exact Mass200.10
IUPAC Name4-(1,2-diaminoethyl)-5-fluoro-2-methoxyphenol
SMILESCOc1cc(C(N)CN)c(F)cc1O
InChIInChI=1S/C9H13FN2O2/c1-14-9-2-5(7(12)4-11)6(10)3-8(9)13/h2-3,7,13H,4,11-12H2,1H3
InChIKeyMNFYRBCIQXDHFY-UHFFFAOYSA-N
XLogP0.50
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol
CID 66514027
4-[(1R)-1,2-diaminoethyl]-2-methoxy-5-methylphenol
CID 55269768
1-(4-chloro-2-fluoro-5-methoxyphenyl)ethane-1,2-diamine
CID 66517708
(1S)-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 66517496
(3R)-3-amino-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171214010
2-amino-2-(5-bromo-2-fluoro-4-methoxyphenyl)ethanol
CID 84711161
(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)pentane-1,5-diamine;hydrochloride
CID 171213964
4-(2-amino-1-fluoroethyl)-5-chloro-2-methoxyphenol
CID 105426027
4-amino-2-[(1S)-1,2-diaminoethyl]-5-fluorophenol
CID 55273541
4-(bromomethyl)-5-fluoro-2-methoxyphenol
CID 130756651
(1R)-1-(4-fluoro-2-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171224876
4-[(1R)-1,2-diaminoethyl]-2-methoxyphenol;hydrochloride
CID 171222633

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-diaminoethyl)-5-fluoro-2-methoxyphenol?
The IUPAC name of 4-(1,2-diaminoethyl)-5-fluoro-2-methoxyphenol (CID 77131047) is 4-(1,2-diaminoethyl)-5-fluoro-2-methoxyphenol.
What is the SMILES notation for 4-(1,2-diaminoethyl)-5-fluoro-2-methoxyphenol?
The canonical SMILES for 4-(1,2-diaminoethyl)-5-fluoro-2-methoxyphenol is COc1cc(C(N)CN)c(F)cc1O.
What is the InChIKey of 4-(1,2-diaminoethyl)-5-fluoro-2-methoxyphenol?
The InChIKey is MNFYRBCIQXDHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2/c1-14-9-2-5(7(12)4-11)6(10)3-8(9)13/h2-3,7,13H,4,11-12H2,1H3.
What are the key properties of 4-(1,2-diaminoethyl)-5-fluoro-2-methoxyphenol?
4-(1,2-diaminoethyl)-5-fluoro-2-methoxyphenol has a molecular weight of 200.21 g/mol, XLogP of 0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-diaminoethyl)-5-fluoro-2-methoxyphenol is sourced from PubChem (CID 77131047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).