2-[3-(3-methylanilino)propylamino]ethanol

C12H20N2O — CID 142203244

IUPAC2-[3-(3-methylanilino)propylamino]ethanol
SMILESCc1cccc(NCCCNCCO)c1
InChIInChI=1S/C12H20N2O/c1-11-4-2-5-12(10-11)14-7-3-6-13-8-9-15/h2,4-5,10,13-15H,3,6-9H2,1H3
InChIKeyCORDPBSWURHPPZ-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.38
Rot. Bonds7

About 2-[3-(3-methylanilino)propylamino]ethanol

2-[3-(3-methylanilino)propylamino]ethanol (PubChem CID 142203244) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-[3-(3-methylanilino)propylamino]ethanol.

Molecular Properties

Compound Name2-[3-(3-methylanilino)propylamino]ethanol
PubChem CID142203244
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-[3-(3-methylanilino)propylamino]ethanol
SMILESCc1cccc(NCCCNCCO)c1
InChIInChI=1S/C12H20N2O/c1-11-4-2-5-12(10-11)14-7-3-6-13-8-9-15/h2,4-5,10,13-15H,3,6-9H2,1H3
InChIKeyCORDPBSWURHPPZ-UHFFFAOYSA-N
XLogP1.38
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-(3-methylanilino)propylamino]ethyl]-N'-(3-methylphenyl)propane-1,3-diamine
CID 56650104
N'-(3-methylphenyl)-N-[(2,4,6-trichlorophenyl)methyl]butane-1,4-diamine;hydrochloride
CID 173436666
3-methyl-N-(4-methylsulfanylbutyl)aniline
CID 103087126
6-(3-methylanilino)hexan-3-one
CID 10798292
N-butyl-3-methylaniline;phenol
CID 18006904
5-(3-methylanilino)-1-sulfanylpentan-2-ol
CID 25211618
N-(3,4-dimethylphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine
CID 54806214
2-(4-hydroxybutylamino)-N-(3-methylphenyl)acetamide
CID 103820281
N'-hydroxy-5-(3-methylanilino)pentanimidamide
CID 77025899
N'-(2,6-dimethylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 54806140
2-[2-(4-amino-3-methylanilino)ethylamino]ethanol
CID 23104585
N-[4-(4-aminophenyl)butyl]-3-methylaniline
CID 94271013

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylanilino)propylamino]ethanol?
The IUPAC name of 2-[3-(3-methylanilino)propylamino]ethanol (CID 142203244) is 2-[3-(3-methylanilino)propylamino]ethanol.
What is the SMILES notation for 2-[3-(3-methylanilino)propylamino]ethanol?
The canonical SMILES for 2-[3-(3-methylanilino)propylamino]ethanol is Cc1cccc(NCCCNCCO)c1.
What is the InChIKey of 2-[3-(3-methylanilino)propylamino]ethanol?
The InChIKey is CORDPBSWURHPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-11-4-2-5-12(10-11)14-7-3-6-13-8-9-15/h2,4-5,10,13-15H,3,6-9H2,1H3.
What are the key properties of 2-[3-(3-methylanilino)propylamino]ethanol?
2-[3-(3-methylanilino)propylamino]ethanol has a molecular weight of 208.31 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methylanilino)propylamino]ethanol is sourced from PubChem (CID 142203244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).