3,5-dichloro-4-(1,2-diaminoethyl)phenol

C8H10Cl2N2O — CID 10100975

IUPAC3,5-dichloro-4-(1,2-diaminoethyl)phenol
SMILESNCC(N)c1c(Cl)cc(O)cc1Cl
InChIInChI=1S/C8H10Cl2N2O/c9-5-1-4(13)2-6(10)8(5)7(12)3-11/h1-2,7,13H,3,11-12H2
InChIKeyGGOAVIZGZAGIGF-UHFFFAOYSA-N
MW221.09 g/mol
LogP1.66
Rot. Bonds2

About 3,5-dichloro-4-(1,2-diaminoethyl)phenol

3,5-dichloro-4-(1,2-diaminoethyl)phenol (PubChem CID 10100975) has the molecular formula C8H10Cl2N2O and a molecular weight of 221.09 g/mol. Its IUPAC name is 3,5-dichloro-4-(1,2-diaminoethyl)phenol.

Molecular Properties

Compound Name3,5-dichloro-4-(1,2-diaminoethyl)phenol
PubChem CID10100975
Molecular FormulaC8H10Cl2N2O
Molecular Weight221.09 g/mol
Exact Mass220.02
IUPAC Name3,5-dichloro-4-(1,2-diaminoethyl)phenol
SMILESNCC(N)c1c(Cl)cc(O)cc1Cl
InChIInChI=1S/C8H10Cl2N2O/c9-5-1-4(13)2-6(10)8(5)7(12)3-11/h1-2,7,13H,3,11-12H2
InChIKeyGGOAVIZGZAGIGF-UHFFFAOYSA-N
XLogP1.66
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.09
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-4-(1,2-diaminoethyl)phenol;platinum(2+);diiodide
CID 10100974
2-[(1R)-1,2-diaminoethyl]benzene-1,3,5-triol;hydrochloride
CID 171236660
3,5-dichloro-4-[(1S,2S)-1,2-diamino-2-(2,6-dichloro-4-hydroxyphenyl)ethyl]phenol
CID 102369727
(1R)-1-(2,6-dichlorophenyl)ethane-1,2-diamine;hydrochloride
CID 171217423
3-chloro-2-[(1S)-1,2-diaminoethyl]phenol
CID 55277698
2,6-dichloro-4-[(1R)-1,2-diaminoethyl]phenol;hydrochloride
CID 171224788
3-chloro-2-[(1R)-1,2-diaminoethyl]-6-fluorophenol
CID 131010003
(1R)-1-(2,3,6-trichlorophenyl)ethane-1,2-diamine
CID 130714145
(1S)-1-(3,6-dichloro-2-fluorophenyl)ethane-1,2-diamine
CID 130692629
3-amino-2-(2-chloro-6-fluoro-4-hydroxyphenyl)propanoic acid
CID 84796511
4-bromo-2-chloro-6-[(1R)-1,2-diaminoethyl]phenol;hydrochloride
CID 171253275
4-[(1S,2R)-1-amino-2-(2,6-dichloro-4-hydroxyphenyl)-2-(ethylamino)ethyl]-3,5-dichlorophenol
CID 10431669

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(1,2-diaminoethyl)phenol?
The IUPAC name of 3,5-dichloro-4-(1,2-diaminoethyl)phenol (CID 10100975) is 3,5-dichloro-4-(1,2-diaminoethyl)phenol.
What is the SMILES notation for 3,5-dichloro-4-(1,2-diaminoethyl)phenol?
The canonical SMILES for 3,5-dichloro-4-(1,2-diaminoethyl)phenol is NCC(N)c1c(Cl)cc(O)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-(1,2-diaminoethyl)phenol?
The InChIKey is GGOAVIZGZAGIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O/c9-5-1-4(13)2-6(10)8(5)7(12)3-11/h1-2,7,13H,3,11-12H2.
What are the key properties of 3,5-dichloro-4-(1,2-diaminoethyl)phenol?
3,5-dichloro-4-(1,2-diaminoethyl)phenol has a molecular weight of 221.09 g/mol, XLogP of 1.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(1,2-diaminoethyl)phenol is sourced from PubChem (CID 10100975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).