3-[anilino(ethyl)amino]propan-1-ol

C11H18N2O — CID 161006671

IUPAC3-[anilino(ethyl)amino]propan-1-ol
SMILESCCN(CCCO)Nc1ccccc1
InChIInChI=1S/C11H18N2O/c1-2-13(9-6-10-14)12-11-7-4-3-5-8-11/h3-5,7-8,12,14H,2,6,9-10H2,1H3
InChIKeyTWOZNKLHGMPCPE-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.72
Rot. Bonds6

About 3-[anilino(ethyl)amino]propan-1-ol

3-[anilino(ethyl)amino]propan-1-ol (PubChem CID 161006671) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-[anilino(ethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[anilino(ethyl)amino]propan-1-ol
PubChem CID161006671
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-[anilino(ethyl)amino]propan-1-ol
SMILESCCN(CCCO)Nc1ccccc1
InChIInChI=1S/C11H18N2O/c1-2-13(9-6-10-14)12-11-7-4-3-5-8-11/h3-5,7-8,12,14H,2,6,9-10H2,1H3
InChIKeyTWOZNKLHGMPCPE-UHFFFAOYSA-N
XLogP1.72
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-1,1-dipropylhydrazine
CID 14228134
N-anilino-N-ethylhydroxylamine
CID 54381166
3-(N-propylanilino)propan-1-ol
CID 101291000
3-[anilino(3-sulfopropyl)amino]propane-1-sulfonic acid
CID 88650099
3-[ethyl-[(4-phenylphenyl)methyl]amino]propan-1-ol
CID 115666478
3-[benzhydryl(butyl)amino]propan-1-ol
CID 56583759
N'-(2-anilinoethyl)-N,N,N'-triethylpropane-1,3-diamine
CID 102994521
1-[anilino(2-hydroxypropyl)amino]propan-2-ol
CID 118924371
2-anilino-N-butyl-N-(2-hydroxyethyl)acetamide
CID 54870892
2-anilino-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 60945484
10-anilinodecan-1-ol
CID 10955954
1,1-bis(2-chloroethyl)-2-phenylhydrazine;hydrochloride
CID 158056719

Frequently Asked Questions

What is the IUPAC name of 3-[anilino(ethyl)amino]propan-1-ol?
The IUPAC name of 3-[anilino(ethyl)amino]propan-1-ol (CID 161006671) is 3-[anilino(ethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[anilino(ethyl)amino]propan-1-ol?
The canonical SMILES for 3-[anilino(ethyl)amino]propan-1-ol is CCN(CCCO)Nc1ccccc1.
What is the InChIKey of 3-[anilino(ethyl)amino]propan-1-ol?
The InChIKey is TWOZNKLHGMPCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-13(9-6-10-14)12-11-7-4-3-5-8-11/h3-5,7-8,12,14H,2,6,9-10H2,1H3.
What are the key properties of 3-[anilino(ethyl)amino]propan-1-ol?
3-[anilino(ethyl)amino]propan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[anilino(ethyl)amino]propan-1-ol is sourced from PubChem (CID 161006671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).