benzene-1,2-diamine;3-(2,5-diaminophenyl)propan-1-ol

C15H22N4O — CID 174915538

IUPACbenzene-1,2-diamine;3-(2,5-diaminophenyl)propan-1-ol
SMILESNc1ccc(N)c(CCCO)c1.Nc1ccccc1N
InChIInChI=1S/C9H14N2O.C6H8N2/c10-8-3-4-9(11)7(6-8)2-1-5-12;7-5-3-1-2-4-6(5)8/h3-4,6,12H,1-2,5,10-11H2;1-4H,7-8H2
InChIKeyTYAYSLSAZHFTBN-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.63
Rot. Bonds3

About benzene-1,2-diamine;3-(2,5-diaminophenyl)propan-1-ol

benzene-1,2-diamine;3-(2,5-diaminophenyl)propan-1-ol (PubChem CID 174915538) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is benzene-1,2-diamine;3-(2,5-diaminophenyl)propan-1-ol.

Molecular Properties

Compound Namebenzene-1,2-diamine;3-(2,5-diaminophenyl)propan-1-ol
PubChem CID174915538
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Namebenzene-1,2-diamine;3-(2,5-diaminophenyl)propan-1-ol
SMILESNc1ccc(N)c(CCCO)c1.Nc1ccccc1N
InChIInChI=1S/C9H14N2O.C6H8N2/c10-8-3-4-9(11)7(6-8)2-1-5-12;7-5-3-1-2-4-6(5)8/h3-4,6,12H,1-2,5,10-11H2;1-4H,7-8H2
InChIKeyTYAYSLSAZHFTBN-UHFFFAOYSA-N
XLogP1.63
TPSA124.31 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.63
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-(2,5-diaminophenyl)ethanol
CID 160672831
3-(2-amino-5-methylphenyl)propan-1-ol
CID 58554503
2-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
CID 175547385
3-(2-aminophenyl)propan-1-ol;cyclopentane-1,1-diol
CID 144861807
2-[(2,5-diaminophenyl)methyl]phenol
CID 59646189
4-(2,3-diaminophenyl)butan-1-ol
CID 67906249
3-(3-aminophenyl)propan-1-ol
CID 10103334
2-[3-(1-methylpyrrol-1-ium-1-yl)propyl]benzene-1,4-diamine
CID 168720542
benzene-1,2-diamine;butan-1-ol;dihydrochloride
CID 174374290
2-[(2-aminoanilino)methyl]benzene-1,4-diamine
CID 22662379
3-amino-4-(3-hydroxypropyl)phenol
CID 67360717
2-[2-amino-3-[(2,5-diaminophenyl)methylamino]phenyl]ethanol
CID 23440231

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diamine;3-(2,5-diaminophenyl)propan-1-ol?
The IUPAC name of benzene-1,2-diamine;3-(2,5-diaminophenyl)propan-1-ol (CID 174915538) is benzene-1,2-diamine;3-(2,5-diaminophenyl)propan-1-ol.
What is the SMILES notation for benzene-1,2-diamine;3-(2,5-diaminophenyl)propan-1-ol?
The canonical SMILES for benzene-1,2-diamine;3-(2,5-diaminophenyl)propan-1-ol is Nc1ccc(N)c(CCCO)c1.Nc1ccccc1N.
What is the InChIKey of benzene-1,2-diamine;3-(2,5-diaminophenyl)propan-1-ol?
The InChIKey is TYAYSLSAZHFTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.C6H8N2/c10-8-3-4-9(11)7(6-8)2-1-5-12;7-5-3-1-2-4-6(5)8/h3-4,6,12H,1-2,5,10-11H2;1-4H,7-8H2.
What are the key properties of benzene-1,2-diamine;3-(2,5-diaminophenyl)propan-1-ol?
benzene-1,2-diamine;3-(2,5-diaminophenyl)propan-1-ol has a molecular weight of 274.37 g/mol, XLogP of 1.63, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diamine;3-(2,5-diaminophenyl)propan-1-ol is sourced from PubChem (CID 174915538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).