2-[4-(2-aminobutyl)-N-(2-hydroxyethyl)anilino]ethanol

C14H24N2O2 — CID 170889215

IUPAC2-[4-(2-aminobutyl)-N-(2-hydroxyethyl)anilino]ethanol
SMILESCCC(N)Cc1ccc(N(CCO)CCO)cc1
InChIInChI=1S/C14H24N2O2/c1-2-13(15)11-12-3-5-14(6-4-12)16(7-9-17)8-10-18/h3-6,13,17-18H,2,7-11,15H2,1H3
InChIKeyNEKUBDAGZKRCQC-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.76
Rot. Bonds8

About 2-[4-(2-aminobutyl)-N-(2-hydroxyethyl)anilino]ethanol

2-[4-(2-aminobutyl)-N-(2-hydroxyethyl)anilino]ethanol (PubChem CID 170889215) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[4-(2-aminobutyl)-N-(2-hydroxyethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-(2-aminobutyl)-N-(2-hydroxyethyl)anilino]ethanol
PubChem CID170889215
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-[4-(2-aminobutyl)-N-(2-hydroxyethyl)anilino]ethanol
SMILESCCC(N)Cc1ccc(N(CCO)CCO)cc1
InChIInChI=1S/C14H24N2O2/c1-2-13(15)11-12-3-5-14(6-4-12)16(7-9-17)8-10-18/h3-6,13,17-18H,2,7-11,15H2,1H3
InChIKeyNEKUBDAGZKRCQC-UHFFFAOYSA-N
XLogP0.76
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminobutyl)-N-ethyl-N-propylaniline
CID 55237765
ethyl (2S)-2-amino-3-[4-[bis(2-hydroxyethyl)amino]phenyl]propanoate
CID 66894906
(2R)-2-amino-3-[4-[bis(2-hydroxyethyl)amino]phenyl]propanoic acid
CID 54430735
4-(2-aminobutyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 55236806
N'-[4-(2-aminobutyl)phenyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 63794361
4-(2-aminobutyl)-N-methyl-N-(3-methylbutyl)aniline
CID 63817257
2-[4-(aminomethyl)-N-ethylanilino]ethanol
CID 43275884
4-(2-aminobutyl)-N-butan-2-yl-N-butylaniline
CID 63816392
4-(2-aminobutyl)-N-methyl-N-(2-methylsulfanylethyl)aniline
CID 112666727
4-(2-aminobutyl)-N-(2,2-dimethylpropyl)-N-methylaniline
CID 55237009
4-(2-aminobutyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 63815303
4-(2-aminobutyl)-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
CID 63794551

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminobutyl)-N-(2-hydroxyethyl)anilino]ethanol?
The IUPAC name of 2-[4-(2-aminobutyl)-N-(2-hydroxyethyl)anilino]ethanol (CID 170889215) is 2-[4-(2-aminobutyl)-N-(2-hydroxyethyl)anilino]ethanol.
What is the SMILES notation for 2-[4-(2-aminobutyl)-N-(2-hydroxyethyl)anilino]ethanol?
The canonical SMILES for 2-[4-(2-aminobutyl)-N-(2-hydroxyethyl)anilino]ethanol is CCC(N)Cc1ccc(N(CCO)CCO)cc1.
What is the InChIKey of 2-[4-(2-aminobutyl)-N-(2-hydroxyethyl)anilino]ethanol?
The InChIKey is NEKUBDAGZKRCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-2-13(15)11-12-3-5-14(6-4-12)16(7-9-17)8-10-18/h3-6,13,17-18H,2,7-11,15H2,1H3.
What are the key properties of 2-[4-(2-aminobutyl)-N-(2-hydroxyethyl)anilino]ethanol?
2-[4-(2-aminobutyl)-N-(2-hydroxyethyl)anilino]ethanol has a molecular weight of 252.36 g/mol, XLogP of 0.76, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminobutyl)-N-(2-hydroxyethyl)anilino]ethanol is sourced from PubChem (CID 170889215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).