3-(3-amino-N-ethylanilino)propan-1-ol

C11H18N2O — CID 63229758

IUPAC3-(3-amino-N-ethylanilino)propan-1-ol
SMILESCCN(CCCO)c1cccc(N)c1
InChIInChI=1S/C11H18N2O/c1-2-13(7-4-8-14)11-6-3-5-10(12)9-11/h3,5-6,9,14H,2,4,7-8,12H2,1H3
InChIKeyJRDSAHLTAXBREI-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.48
Rot. Bonds5

About 3-(3-amino-N-ethylanilino)propan-1-ol

3-(3-amino-N-ethylanilino)propan-1-ol (PubChem CID 63229758) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-(3-amino-N-ethylanilino)propan-1-ol.

Molecular Properties

Compound Name3-(3-amino-N-ethylanilino)propan-1-ol
PubChem CID63229758
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-(3-amino-N-ethylanilino)propan-1-ol
SMILESCCN(CCCO)c1cccc(N)c1
InChIInChI=1S/C11H18N2O/c1-2-13(7-4-8-14)11-6-3-5-10(12)9-11/h3,5-6,9,14H,2,4,7-8,12H2,1H3
InChIKeyJRDSAHLTAXBREI-UHFFFAOYSA-N
XLogP1.48
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.48
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

3-N-ethyl-3-N-propylbenzene-1,3-diamine
CID 43268426
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3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine
CID 61444424
3-N-ethyl-3-N-[3-(2-methoxyethoxy)propyl]benzene-1,3-diamine
CID 103410198
3-(4-amino-N,3-diethylanilino)propan-1-ol
CID 18004349
3-N-ethyl-3-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,3-diamine
CID 116616304
3-N-ethyl-3-N-(2-pyrrolidin-1-ylethyl)benzene-1,3-diamine
CID 107912737
3-(3-amino-N-propylanilino)propane-1,2-diol
CID 82850677
3-N-ethyl-3-N-(2-methylbutyl)benzene-1,3-diamine
CID 63229637
3-N-(2-tert-butylsulfonylethyl)-3-N-ethylbenzene-1,3-diamine
CID 106725980
3-(3-amino-N-cyclobutylanilino)propan-1-ol
CID 102859259
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-N-ethylanilino)propan-1-ol?
The IUPAC name of 3-(3-amino-N-ethylanilino)propan-1-ol (CID 63229758) is 3-(3-amino-N-ethylanilino)propan-1-ol.
What is the SMILES notation for 3-(3-amino-N-ethylanilino)propan-1-ol?
The canonical SMILES for 3-(3-amino-N-ethylanilino)propan-1-ol is CCN(CCCO)c1cccc(N)c1.
What is the InChIKey of 3-(3-amino-N-ethylanilino)propan-1-ol?
The InChIKey is JRDSAHLTAXBREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-13(7-4-8-14)11-6-3-5-10(12)9-11/h3,5-6,9,14H,2,4,7-8,12H2,1H3.
What are the key properties of 3-(3-amino-N-ethylanilino)propan-1-ol?
3-(3-amino-N-ethylanilino)propan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-N-ethylanilino)propan-1-ol is sourced from PubChem (CID 63229758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).