2-[2-amino-3-[(2,5-diaminophenyl)methylamino]phenyl]ethanol

C15H20N4O — CID 23440231

IUPAC2-[2-amino-3-[(2,5-diaminophenyl)methylamino]phenyl]ethanol
SMILESNc1ccc(N)c(CNc2cccc(CCO)c2N)c1
InChIInChI=1S/C15H20N4O/c16-12-4-5-13(17)11(8-12)9-19-14-3-1-2-10(6-7-20)15(14)18/h1-5,8,19-20H,6-7,9,16-18H2
InChIKeyBTPCTSKAWKYZKZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.58
Rot. Bonds5

About 2-[2-amino-3-[(2,5-diaminophenyl)methylamino]phenyl]ethanol

2-[2-amino-3-[(2,5-diaminophenyl)methylamino]phenyl]ethanol (PubChem CID 23440231) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[2-amino-3-[(2,5-diaminophenyl)methylamino]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-amino-3-[(2,5-diaminophenyl)methylamino]phenyl]ethanol
PubChem CID23440231
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[2-amino-3-[(2,5-diaminophenyl)methylamino]phenyl]ethanol
SMILESNc1ccc(N)c(CNc2cccc(CCO)c2N)c1
InChIInChI=1S/C15H20N4O/c16-12-4-5-13(17)11(8-12)9-19-14-3-1-2-10(6-7-20)15(14)18/h1-5,8,19-20H,6-7,9,16-18H2
InChIKeyBTPCTSKAWKYZKZ-UHFFFAOYSA-N
XLogP1.58
TPSA110.32 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-aminoanilino)methyl]benzene-1,4-diamine
CID 22662379
2-(2,5-diaminophenyl)ethanol
CID 160672831
4-amino-2-[[4-amino-2-(2-hydroxyethyl)anilino]methyl]phenol
CID 23437250
2-[5-amino-2-(thiophen-2-ylmethylamino)phenyl]ethanol;hydrochloride
CID 22486457
1-N-[(2,5-diaminophenyl)methyl]-4-methylbenzene-1,2-diamine
CID 23440273
2-[2-amino-5-(3-aminoanilino)phenyl]ethanol
CID 174673672
benzene-1,2-diamine;3-(2,5-diaminophenyl)propan-1-ol
CID 174915538
2-[4-amino-3-[[2-[bis(2-hydroxyethyl)amino]anilino]methyl]-N-(2-hydroxyethyl)anilino]ethanol
CID 90754614
2-[[4-(2,5-diaminophenyl)thiophen-3-yl]methylamino]-6-methylbenzenethiol;dihydrochloride
CID 23286909
[2-amino-3-[4-(2-aminoanilino)but-2-enylamino]phenyl]methanol
CID 155167947
2-[2-[2-(4-aminophenyl)ethylamino]phenyl]ethanol;hydrochloride
CID 90375012
2-[(cyclopropylmethylamino)methyl]benzene-1,4-diamine
CID 22662370

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-3-[(2,5-diaminophenyl)methylamino]phenyl]ethanol?
The IUPAC name of 2-[2-amino-3-[(2,5-diaminophenyl)methylamino]phenyl]ethanol (CID 23440231) is 2-[2-amino-3-[(2,5-diaminophenyl)methylamino]phenyl]ethanol.
What is the SMILES notation for 2-[2-amino-3-[(2,5-diaminophenyl)methylamino]phenyl]ethanol?
The canonical SMILES for 2-[2-amino-3-[(2,5-diaminophenyl)methylamino]phenyl]ethanol is Nc1ccc(N)c(CNc2cccc(CCO)c2N)c1.
What is the InChIKey of 2-[2-amino-3-[(2,5-diaminophenyl)methylamino]phenyl]ethanol?
The InChIKey is BTPCTSKAWKYZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c16-12-4-5-13(17)11(8-12)9-19-14-3-1-2-10(6-7-20)15(14)18/h1-5,8,19-20H,6-7,9,16-18H2.
What are the key properties of 2-[2-amino-3-[(2,5-diaminophenyl)methylamino]phenyl]ethanol?
2-[2-amino-3-[(2,5-diaminophenyl)methylamino]phenyl]ethanol has a molecular weight of 272.35 g/mol, XLogP of 1.58, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-3-[(2,5-diaminophenyl)methylamino]phenyl]ethanol is sourced from PubChem (CID 23440231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).