1-amino-4-(4-aminophenyl)pentan-2-ol

C11H18N2O — CID 112718075

IUPAC1-amino-4-(4-aminophenyl)pentan-2-ol
SMILESCC(CC(O)CN)c1ccc(N)cc1
InChIInChI=1S/C11H18N2O/c1-8(6-11(14)7-12)9-2-4-10(13)5-3-9/h2-5,8,11,14H,6-7,12-13H2,1H3
InChIKeyVNONOLQWJVTJGO-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.08
Rot. Bonds4

About 1-amino-4-(4-aminophenyl)pentan-2-ol

1-amino-4-(4-aminophenyl)pentan-2-ol (PubChem CID 112718075) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-amino-4-(4-aminophenyl)pentan-2-ol.

Molecular Properties

Compound Name1-amino-4-(4-aminophenyl)pentan-2-ol
PubChem CID112718075
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-amino-4-(4-aminophenyl)pentan-2-ol
SMILESCC(CC(O)CN)c1ccc(N)cc1
InChIInChI=1S/C11H18N2O/c1-8(6-11(14)7-12)9-2-4-10(13)5-3-9/h2-5,8,11,14H,6-7,12-13H2,1H3
InChIKeyVNONOLQWJVTJGO-UHFFFAOYSA-N
XLogP1.08
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-4-(3,4-diethoxyphenyl)pentan-2-ol
CID 83923626
4-[4,6,8-tris(4-aminophenyl)decan-2-yl]aniline
CID 134463641
1-amino-4-(3-tert-butyl-4-ethoxyphenyl)pentan-2-ol
CID 83934400
5-[4-(4-aminophenyl)pentan-2-yl]pyridin-2-amine
CID 167152112
4-[1-(dimethylamino)propan-2-yl]aniline
CID 115015271
2-amino-1-[4-(1-hydroxyethyl)phenyl]ethanol
CID 117278888
4-[4-(4-aminophenyl)hex-4-en-2-yl]aniline
CID 159376150
2-[3-(4-aminophenyl)butan-2-yl]propane-1,3-diamine
CID 83928445
(4R)-2-methyl-6-phenylheptan-4-ol
CID 135043417
3-(4-aminophenyl)butanal
CID 143206837
1-amino-4-(2,5-difluorophenyl)pentan-2-ol
CID 83936130
1-amino-4-(5-ethylthiophen-2-yl)pentan-2-ol
CID 83929457

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(4-aminophenyl)pentan-2-ol?
The IUPAC name of 1-amino-4-(4-aminophenyl)pentan-2-ol (CID 112718075) is 1-amino-4-(4-aminophenyl)pentan-2-ol.
What is the SMILES notation for 1-amino-4-(4-aminophenyl)pentan-2-ol?
The canonical SMILES for 1-amino-4-(4-aminophenyl)pentan-2-ol is CC(CC(O)CN)c1ccc(N)cc1.
What is the InChIKey of 1-amino-4-(4-aminophenyl)pentan-2-ol?
The InChIKey is VNONOLQWJVTJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(6-11(14)7-12)9-2-4-10(13)5-3-9/h2-5,8,11,14H,6-7,12-13H2,1H3.
What are the key properties of 1-amino-4-(4-aminophenyl)pentan-2-ol?
1-amino-4-(4-aminophenyl)pentan-2-ol has a molecular weight of 194.28 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(4-aminophenyl)pentan-2-ol is sourced from PubChem (CID 112718075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).