1-[N-(3-aminopropyl)anilino]propan-2-ol

C12H20N2O — CID 65277240

IUPAC1-[N-(3-aminopropyl)anilino]propan-2-ol
SMILESCC(O)CN(CCCN)c1ccccc1
InChIInChI=1S/C12H20N2O/c1-11(15)10-14(9-5-8-13)12-6-3-2-4-7-12/h2-4,6-7,11,15H,5,8-10,13H2,1H3
InChIKeyMLNPXQPWWWAOHA-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.22
Rot. Bonds6

About 1-[N-(3-aminopropyl)anilino]propan-2-ol

1-[N-(3-aminopropyl)anilino]propan-2-ol (PubChem CID 65277240) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-[N-(3-aminopropyl)anilino]propan-2-ol.

Molecular Properties

Compound Name1-[N-(3-aminopropyl)anilino]propan-2-ol
PubChem CID65277240
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-[N-(3-aminopropyl)anilino]propan-2-ol
SMILESCC(O)CN(CCCN)c1ccccc1
InChIInChI=1S/C12H20N2O/c1-11(15)10-14(9-5-8-13)12-6-3-2-4-7-12/h2-4,6-7,11,15H,5,8-10,13H2,1H3
InChIKeyMLNPXQPWWWAOHA-UHFFFAOYSA-N
XLogP1.22
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[N-(3-aminopropyl)anilino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-methylpentyl)-N'-phenylpropane-1,3-diamine
CID 83157179
6-[N-(3-aminopropyl)anilino]hexan-1-ol
CID 107702923
4-[N-(3-aminopropyl)anilino]-2-methylbutan-2-ol
CID 79359729
2-(N-[(2R)-2-hydroxypropyl]anilino)acetaldehyde
CID 22860787
3-[N-(3-aminopropyl)anilino]propanoic acid
CID 63654243
1-N-butyl-1-N-phenylpropane-1,2-diamine
CID 64584797
(2R)-1-(N-methylanilino)propan-2-ol
CID 39236034
1-(N-butylanilino)butan-2-ol
CID 63102235
N'-butyl-N'-phenyl-2-propan-2-ylpropane-1,3-diamine
CID 65233155
ethene;N'-methyl-N'-phenylpropane-1,3-diamine
CID 143617453
N'-phenyl-N'-(4-phenylbutyl)propane-1,3-diamine
CID 114333029
N-(3-aminopropyl)-2-hydroxy-N-methyl-2-phenylacetamide
CID 115318936

Frequently Asked Questions

What is the IUPAC name of 1-[N-(3-aminopropyl)anilino]propan-2-ol?
The IUPAC name of 1-[N-(3-aminopropyl)anilino]propan-2-ol (CID 65277240) is 1-[N-(3-aminopropyl)anilino]propan-2-ol.
What is the SMILES notation for 1-[N-(3-aminopropyl)anilino]propan-2-ol?
The canonical SMILES for 1-[N-(3-aminopropyl)anilino]propan-2-ol is CC(O)CN(CCCN)c1ccccc1.
What is the InChIKey of 1-[N-(3-aminopropyl)anilino]propan-2-ol?
The InChIKey is MLNPXQPWWWAOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-11(15)10-14(9-5-8-13)12-6-3-2-4-7-12/h2-4,6-7,11,15H,5,8-10,13H2,1H3.
What are the key properties of 1-[N-(3-aminopropyl)anilino]propan-2-ol?
1-[N-(3-aminopropyl)anilino]propan-2-ol has a molecular weight of 208.31 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N-(3-aminopropyl)anilino]propan-2-ol is sourced from PubChem (CID 65277240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).