1-(4-aminophenyl)-2-[propan-2-yl(propyl)amino]ethanol

C14H24N2O — CID 62266967

IUPAC1-(4-aminophenyl)-2-[propan-2-yl(propyl)amino]ethanol
SMILESCCCN(CC(O)c1ccc(N)cc1)C(C)C
InChIInChI=1S/C14H24N2O/c1-4-9-16(11(2)3)10-14(17)12-5-7-13(15)8-6-12/h5-8,11,14,17H,4,9-10,15H2,1-3H3
InChIKeyDHHHPIIWIOKUQI-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.42
Rot. Bonds6

About 1-(4-aminophenyl)-2-[propan-2-yl(propyl)amino]ethanol

1-(4-aminophenyl)-2-[propan-2-yl(propyl)amino]ethanol (PubChem CID 62266967) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-[propan-2-yl(propyl)amino]ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-[propan-2-yl(propyl)amino]ethanol
PubChem CID62266967
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(4-aminophenyl)-2-[propan-2-yl(propyl)amino]ethanol
SMILESCCCN(CC(O)c1ccc(N)cc1)C(C)C
InChIInChI=1S/C14H24N2O/c1-4-9-16(11(2)3)10-14(17)12-5-7-13(15)8-6-12/h5-8,11,14,17H,4,9-10,15H2,1-3H3
InChIKeyDHHHPIIWIOKUQI-UHFFFAOYSA-N
XLogP2.42
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[pentyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanol
CID 63472297
1-(4-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanol
CID 55055537
2-[2-methoxyethyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanol
CID 82960025
1-(4-aminophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol
CID 55055823
1-(4-aminophenyl)-2-[methyl(pentan-3-yl)amino]ethanol
CID 62265577
2-[ethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 54949204
4-[1-[[propan-2-yl(propyl)amino]methyl]cyclopropyl]aniline
CID 112558001
(2R)-1-[propan-2-yl(propyl)amino]propan-2-ol
CID 103934934
1-(4-aminophenyl)-5-methylhexan-1-ol
CID 106695506
2-[[2-(4-aminophenyl)-2-hydroxyethyl]-butylamino]acetamide
CID 62265584
1-(4-aminophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol
CID 62265758
2-[2-methoxyethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 82938199

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-[propan-2-yl(propyl)amino]ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-[propan-2-yl(propyl)amino]ethanol (CID 62266967) is 1-(4-aminophenyl)-2-[propan-2-yl(propyl)amino]ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-[propan-2-yl(propyl)amino]ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-[propan-2-yl(propyl)amino]ethanol is CCCN(CC(O)c1ccc(N)cc1)C(C)C.
What is the InChIKey of 1-(4-aminophenyl)-2-[propan-2-yl(propyl)amino]ethanol?
The InChIKey is DHHHPIIWIOKUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-9-16(11(2)3)10-14(17)12-5-7-13(15)8-6-12/h5-8,11,14,17H,4,9-10,15H2,1-3H3.
What are the key properties of 1-(4-aminophenyl)-2-[propan-2-yl(propyl)amino]ethanol?
1-(4-aminophenyl)-2-[propan-2-yl(propyl)amino]ethanol has a molecular weight of 236.36 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-[propan-2-yl(propyl)amino]ethanol is sourced from PubChem (CID 62266967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).