3,4-bis(4-aminoanilino)butan-1-ol

C16H22N4O — CID 19389319

IUPAC3,4-bis(4-aminoanilino)butan-1-ol
SMILESNc1ccc(NCC(CCO)Nc2ccc(N)cc2)cc1
InChIInChI=1S/C16H22N4O/c17-12-1-5-14(6-2-12)19-11-16(9-10-21)20-15-7-3-13(18)4-8-15/h1-8,16,19-21H,9-11,17-18H2
InChIKeyZNSAKPFFVKABTN-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.13
Rot. Bonds7

About 3,4-bis(4-aminoanilino)butan-1-ol

3,4-bis(4-aminoanilino)butan-1-ol (PubChem CID 19389319) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3,4-bis(4-aminoanilino)butan-1-ol.

Molecular Properties

Compound Name3,4-bis(4-aminoanilino)butan-1-ol
PubChem CID19389319
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3,4-bis(4-aminoanilino)butan-1-ol
SMILESNc1ccc(NCC(CCO)Nc2ccc(N)cc2)cc1
InChIInChI=1S/C16H22N4O/c17-12-1-5-14(6-2-12)19-11-16(9-10-21)20-15-7-3-13(18)4-8-15/h1-8,16,19-21H,9-11,17-18H2
InChIKeyZNSAKPFFVKABTN-UHFFFAOYSA-N
XLogP2.13
TPSA96.33 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,5-bis(4-aminoanilino)pentane-1,4-diol
CID 67362410
4-anilino-3-(methylamino)butan-1-ol
CID 13023607
2-(4-aminoanilino)-3-methoxypropan-1-ol
CID 106183923
4-N-(2-aminoprop-2-enyl)benzene-1,4-diamine
CID 70185989
(4-aminoanilino)methanesulfonic acid
CID 12631177
1-[4-[(4-aminophenyl)methyl]anilino]butan-2-ol
CID 54013860
2-[2-[2-[2-(4-aminoanilino)ethoxy]ethoxy]ethoxy]ethanol
CID 150016700
3-[[(6-amino-3-pyridinyl)amino]methyl]hexan-1-ol
CID 106113661
1-(4-aminoanilino)-3-hydroxypropan-2-one
CID 91371398
(3R)-3-amino-3-(4-aminophenyl)propan-1-ol
CID 25417365
2-(4-aminoanilino)-1-(4-phenylphenyl)ethanol
CID 155758987
4-N-(6-methylheptan-2-yl)benzene-1,4-diamine
CID 61469616

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(4-aminoanilino)butan-1-ol?
The IUPAC name of 3,4-bis(4-aminoanilino)butan-1-ol (CID 19389319) is 3,4-bis(4-aminoanilino)butan-1-ol.
What is the SMILES notation for 3,4-bis(4-aminoanilino)butan-1-ol?
The canonical SMILES for 3,4-bis(4-aminoanilino)butan-1-ol is Nc1ccc(NCC(CCO)Nc2ccc(N)cc2)cc1.
What is the InChIKey of 3,4-bis(4-aminoanilino)butan-1-ol?
The InChIKey is ZNSAKPFFVKABTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c17-12-1-5-14(6-2-12)19-11-16(9-10-21)20-15-7-3-13(18)4-8-15/h1-8,16,19-21H,9-11,17-18H2.
What are the key properties of 3,4-bis(4-aminoanilino)butan-1-ol?
3,4-bis(4-aminoanilino)butan-1-ol has a molecular weight of 286.38 g/mol, XLogP of 2.13, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(4-aminoanilino)butan-1-ol is sourced from PubChem (CID 19389319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).