[2-amino-3-[4-(2-aminoanilino)but-2-enylamino]phenyl]methanol

C17H22N4O — CID 155167947

IUPAC[2-amino-3-[4-(2-aminoanilino)but-2-enylamino]phenyl]methanol
SMILESNc1ccccc1NCC=CCNc1cccc(CO)c1N
InChIInChI=1S/C17H22N4O/c18-14-7-1-2-8-15(14)20-10-3-4-11-21-16-9-5-6-13(12-22)17(16)19/h1-9,20-22H,10-12,18-19H2
InChIKeyJYBPOQRCDCLQNL-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.42
Rot. Bonds7

About [2-amino-3-[4-(2-aminoanilino)but-2-enylamino]phenyl]methanol

[2-amino-3-[4-(2-aminoanilino)but-2-enylamino]phenyl]methanol (PubChem CID 155167947) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is [2-amino-3-[4-(2-aminoanilino)but-2-enylamino]phenyl]methanol.

Molecular Properties

Compound Name[2-amino-3-[4-(2-aminoanilino)but-2-enylamino]phenyl]methanol
PubChem CID155167947
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name[2-amino-3-[4-(2-aminoanilino)but-2-enylamino]phenyl]methanol
SMILESNc1ccccc1NCC=CCNc1cccc(CO)c1N
InChIInChI=1S/C17H22N4O/c18-14-7-1-2-8-15(14)20-10-3-4-11-21-16-9-5-6-13(12-22)17(16)19/h1-9,20-22H,10-12,18-19H2
InChIKeyJYBPOQRCDCLQNL-UHFFFAOYSA-N
XLogP2.42
TPSA96.33 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-amino-2-[4-(2-aminoanilino)butylamino]phenyl]methanol
CID 155167989
2-N-[(E)-3-phenylprop-2-enyl]benzene-1,2-diamine
CID 6508892
2-N-(3-methylbut-2-enyl)benzene-1,2-diamine
CID 106182311
[4-[(2-aminoanilino)methyl]phenyl]methanol
CID 107231520
[2-(prop-2-enylamino)phenyl]methanol
CID 15084062
2-N-[(E)-3-pyridin-3-ylprop-2-enyl]benzene-1,2-diamine
CID 19796340
2-[2-amino-3-[(2,5-diaminophenyl)methylamino]phenyl]ethanol
CID 23440231
(5-aminonaphthalen-1-yl)methanol
CID 117275395
(E)-4-[2-(trifluoromethyl)anilino]but-2-en-1-ol
CID 115038099
2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 60903784
[2-[3-(2-methoxyphenyl)prop-2-enylamino]phenyl]methanol
CID 91941437
2-[(2-aminoanilino)methyl]benzene-1,4-diamine
CID 22662379

Frequently Asked Questions

What is the IUPAC name of [2-amino-3-[4-(2-aminoanilino)but-2-enylamino]phenyl]methanol?
The IUPAC name of [2-amino-3-[4-(2-aminoanilino)but-2-enylamino]phenyl]methanol (CID 155167947) is [2-amino-3-[4-(2-aminoanilino)but-2-enylamino]phenyl]methanol.
What is the SMILES notation for [2-amino-3-[4-(2-aminoanilino)but-2-enylamino]phenyl]methanol?
The canonical SMILES for [2-amino-3-[4-(2-aminoanilino)but-2-enylamino]phenyl]methanol is Nc1ccccc1NCC=CCNc1cccc(CO)c1N.
What is the InChIKey of [2-amino-3-[4-(2-aminoanilino)but-2-enylamino]phenyl]methanol?
The InChIKey is JYBPOQRCDCLQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c18-14-7-1-2-8-15(14)20-10-3-4-11-21-16-9-5-6-13(12-22)17(16)19/h1-9,20-22H,10-12,18-19H2.
What are the key properties of [2-amino-3-[4-(2-aminoanilino)but-2-enylamino]phenyl]methanol?
[2-amino-3-[4-(2-aminoanilino)but-2-enylamino]phenyl]methanol has a molecular weight of 298.39 g/mol, XLogP of 2.42, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-[4-(2-aminoanilino)but-2-enylamino]phenyl]methanol is sourced from PubChem (CID 155167947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).