2-(3-amino-4-methoxyanilino)ethanol;benzene-1,3-diamine

C15H22N4O2 — CID 159575611

IUPAC2-(3-amino-4-methoxyanilino)ethanol;benzene-1,3-diamine
SMILESCOc1ccc(NCCO)cc1N.Nc1cccc(N)c1
InChIInChI=1S/C9H14N2O2.C6H8N2/c1-13-9-3-2-7(6-8(9)10)11-4-5-12;7-5-2-1-3-6(8)4-5/h2-3,6,11-12H,4-5,10H2,1H3;1-4H,7-8H2
InChIKeyMIJDYRLRQWIXKB-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.53
Rot. Bonds4

About 2-(3-amino-4-methoxyanilino)ethanol;benzene-1,3-diamine

2-(3-amino-4-methoxyanilino)ethanol;benzene-1,3-diamine (PubChem CID 159575611) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(3-amino-4-methoxyanilino)ethanol;benzene-1,3-diamine.

Molecular Properties

Compound Name2-(3-amino-4-methoxyanilino)ethanol;benzene-1,3-diamine
PubChem CID159575611
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-(3-amino-4-methoxyanilino)ethanol;benzene-1,3-diamine
SMILESCOc1ccc(NCCO)cc1N.Nc1cccc(N)c1
InChIInChI=1S/C9H14N2O2.C6H8N2/c1-13-9-3-2-7(6-8(9)10)11-4-5-12;7-5-2-1-3-6(8)4-5/h2-3,6,11-12H,4-5,10H2,1H3;1-4H,7-8H2
InChIKeyMIJDYRLRQWIXKB-UHFFFAOYSA-N
XLogP1.53
TPSA119.55 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-amino-4-methoxyanilino)ethanol;hydrochloride
CID 154637919
ethane;2-(4-methoxy-3-methylanilino)ethanol
CID 142353980
3-(3-amino-4-methoxyanilino)prop-1-en-1-ol
CID 68967625
5-(4-amino-3-methoxyanilino)pentan-1-ol
CID 107316403
N-(3-amino-4-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide
CID 119419521
3-[3-(3-amino-4-methoxyphenyl)propylamino]phenol
CID 82153989
3-(3-tert-butyl-4-methoxyanilino)propan-1-ol
CID 115216613
2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethanol
CID 82257349
2-(3-amino-4-methoxy-5-methylanilino)ethanol
CID 143181854
1-[2-amino-4-(2-hydroxyethylamino)phenyl]ethanone
CID 104528257
2-[4-amino-3-(3,5-diaminophenyl)anilino]ethanol
CID 18371271
2-[3-(4-amino-3-methoxyanilino)propoxy]ethanol
CID 106308975

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methoxyanilino)ethanol;benzene-1,3-diamine?
The IUPAC name of 2-(3-amino-4-methoxyanilino)ethanol;benzene-1,3-diamine (CID 159575611) is 2-(3-amino-4-methoxyanilino)ethanol;benzene-1,3-diamine.
What is the SMILES notation for 2-(3-amino-4-methoxyanilino)ethanol;benzene-1,3-diamine?
The canonical SMILES for 2-(3-amino-4-methoxyanilino)ethanol;benzene-1,3-diamine is COc1ccc(NCCO)cc1N.Nc1cccc(N)c1.
What is the InChIKey of 2-(3-amino-4-methoxyanilino)ethanol;benzene-1,3-diamine?
The InChIKey is MIJDYRLRQWIXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2.C6H8N2/c1-13-9-3-2-7(6-8(9)10)11-4-5-12;7-5-2-1-3-6(8)4-5/h2-3,6,11-12H,4-5,10H2,1H3;1-4H,7-8H2.
What are the key properties of 2-(3-amino-4-methoxyanilino)ethanol;benzene-1,3-diamine?
2-(3-amino-4-methoxyanilino)ethanol;benzene-1,3-diamine has a molecular weight of 290.37 g/mol, XLogP of 1.53, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methoxyanilino)ethanol;benzene-1,3-diamine is sourced from PubChem (CID 159575611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).