1-[4-[(2,5-diaminophenyl)methylamino]-N-(1-hydroxyethyl)anilino]ethanol

C17H24N4O2 — CID 22662312

IUPAC1-[4-[(2,5-diaminophenyl)methylamino]-N-(1-hydroxyethyl)anilino]ethanol
SMILESCC(O)N(c1ccc(NCc2cc(N)ccc2N)cc1)C(C)O
InChIInChI=1S/C17H24N4O2/c1-11(22)21(12(2)23)16-6-4-15(5-7-16)20-10-13-9-14(18)3-8-17(13)19/h3-9,11-12,20,22-23H,10,18-19H2,1-2H3
InChIKeyKXOLPCGRAWVWQC-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.95
Rot. Bonds6

About 1-[4-[(2,5-diaminophenyl)methylamino]-N-(1-hydroxyethyl)anilino]ethanol

1-[4-[(2,5-diaminophenyl)methylamino]-N-(1-hydroxyethyl)anilino]ethanol (PubChem CID 22662312) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-[4-[(2,5-diaminophenyl)methylamino]-N-(1-hydroxyethyl)anilino]ethanol.

Molecular Properties

Compound Name1-[4-[(2,5-diaminophenyl)methylamino]-N-(1-hydroxyethyl)anilino]ethanol
PubChem CID22662312
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name1-[4-[(2,5-diaminophenyl)methylamino]-N-(1-hydroxyethyl)anilino]ethanol
SMILESCC(O)N(c1ccc(NCc2cc(N)ccc2N)cc1)C(C)O
InChIInChI=1S/C17H24N4O2/c1-11(22)21(12(2)23)16-6-4-15(5-7-16)20-10-13-9-14(18)3-8-17(13)19/h3-9,11-12,20,22-23H,10,18-19H2,1-2H3
InChIKeyKXOLPCGRAWVWQC-UHFFFAOYSA-N
XLogP1.95
TPSA107.77 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[4-amino-2-[(4-aminoanilino)methyl]anilino]propane-1,1-diol
CID 91481127
3-[3,6-diamino-2-[[4-(dimethylamino)anilino]methyl]phenyl]propane-1,1-diol
CID 23440224
2-[(2-aminoanilino)methyl]benzene-1,4-diamine
CID 22662379
1-N-[(2,5-diaminophenyl)methyl]-4-methylbenzene-1,2-diamine
CID 23440273
1-(4-amino-3-propylanilino)ethanol
CID 57033695
N-[(2,5-diaminophenyl)methyl]acetamide;dihydrochloride
CID 18415482
2-[(2,5-diaminophenyl)methylamino]butan-1-ol;hydrochloride
CID 22662430
4-amino-2-[(3,4-dimethylanilino)methyl]phenol
CID 18533660
4-[(5-amino-2-hydroxyphenyl)methylamino]benzamide
CID 60874735
1-(4-amino-N,3-diethylanilino)ethanol
CID 70408787
2-[(cyclopropylmethylamino)methyl]benzene-1,4-diamine
CID 22662370
2-[2-amino-3-[(2,5-diaminophenyl)methylamino]phenyl]ethanol
CID 23440231

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,5-diaminophenyl)methylamino]-N-(1-hydroxyethyl)anilino]ethanol?
The IUPAC name of 1-[4-[(2,5-diaminophenyl)methylamino]-N-(1-hydroxyethyl)anilino]ethanol (CID 22662312) is 1-[4-[(2,5-diaminophenyl)methylamino]-N-(1-hydroxyethyl)anilino]ethanol.
What is the SMILES notation for 1-[4-[(2,5-diaminophenyl)methylamino]-N-(1-hydroxyethyl)anilino]ethanol?
The canonical SMILES for 1-[4-[(2,5-diaminophenyl)methylamino]-N-(1-hydroxyethyl)anilino]ethanol is CC(O)N(c1ccc(NCc2cc(N)ccc2N)cc1)C(C)O.
What is the InChIKey of 1-[4-[(2,5-diaminophenyl)methylamino]-N-(1-hydroxyethyl)anilino]ethanol?
The InChIKey is KXOLPCGRAWVWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11(22)21(12(2)23)16-6-4-15(5-7-16)20-10-13-9-14(18)3-8-17(13)19/h3-9,11-12,20,22-23H,10,18-19H2,1-2H3.
What are the key properties of 1-[4-[(2,5-diaminophenyl)methylamino]-N-(1-hydroxyethyl)anilino]ethanol?
1-[4-[(2,5-diaminophenyl)methylamino]-N-(1-hydroxyethyl)anilino]ethanol has a molecular weight of 316.41 g/mol, XLogP of 1.95, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,5-diaminophenyl)methylamino]-N-(1-hydroxyethyl)anilino]ethanol is sourced from PubChem (CID 22662312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).