2-[4-(aminomethyl)-N-(2-hydroxyethyl)-3-methylanilino]ethanol

C12H20N2O2 — CID 81273324

IUPAC2-[4-(aminomethyl)-N-(2-hydroxyethyl)-3-methylanilino]ethanol
SMILESCc1cc(N(CCO)CCO)ccc1CN
InChIInChI=1S/C12H20N2O2/c1-10-8-12(3-2-11(10)9-13)14(4-6-15)5-7-16/h2-3,8,15-16H,4-7,9,13H2,1H3
InChIKeyPSVFUZAUNVSXHY-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.24
Rot. Bonds6

About 2-[4-(aminomethyl)-N-(2-hydroxyethyl)-3-methylanilino]ethanol

2-[4-(aminomethyl)-N-(2-hydroxyethyl)-3-methylanilino]ethanol (PubChem CID 81273324) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-N-(2-hydroxyethyl)-3-methylanilino]ethanol.

Molecular Properties

Compound Name2-[4-(aminomethyl)-N-(2-hydroxyethyl)-3-methylanilino]ethanol
PubChem CID81273324
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-[4-(aminomethyl)-N-(2-hydroxyethyl)-3-methylanilino]ethanol
SMILESCc1cc(N(CCO)CCO)ccc1CN
InChIInChI=1S/C12H20N2O2/c1-10-8-12(3-2-11(10)9-13)14(4-6-15)5-7-16/h2-3,8,15-16H,4-7,9,13H2,1H3
InChIKeyPSVFUZAUNVSXHY-UHFFFAOYSA-N
XLogP0.24
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.24
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

2-[4-(aminomethyl)-3-chloro-N-(2-hydroxyethyl)anilino]ethanol
CID 62946184
2-[2-[4-(aminomethyl)-N,3-dimethylanilino]ethoxy]ethanol
CID 114242987
2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]ethanol
CID 62135723
4-(2-aminoethyl)-N,N-dibutyl-3-methylaniline
CID 63783395
2-[4-(aminomethyl)-N-ethyl-3-methylanilino]-N-methylacetamide
CID 62136249
5-[4-amino-N-(4-hydroxybutyl)-3-methylanilino]pentan-1-ol
CID 18004351
2-[3-(aminomethyl)-N-(2-hydroxyethyl)anilino]ethanol
CID 102813585
2-[4-(aminomethyl)-3-bromo-N-methylanilino]ethanol
CID 107274749
4-(aminomethyl)-N,3-dimethyl-N-(2-methylbutan-2-yl)aniline
CID 63965313
4-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)aniline
CID 81273880
4-(aminomethyl)-N-butan-2-yl-N-butyl-3-methylaniline
CID 55038784
2-[4-(aminomethyl)-3-methyl-N-propan-2-ylanilino]acetamide
CID 62130970

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-N-(2-hydroxyethyl)-3-methylanilino]ethanol?
The IUPAC name of 2-[4-(aminomethyl)-N-(2-hydroxyethyl)-3-methylanilino]ethanol (CID 81273324) is 2-[4-(aminomethyl)-N-(2-hydroxyethyl)-3-methylanilino]ethanol.
What is the SMILES notation for 2-[4-(aminomethyl)-N-(2-hydroxyethyl)-3-methylanilino]ethanol?
The canonical SMILES for 2-[4-(aminomethyl)-N-(2-hydroxyethyl)-3-methylanilino]ethanol is Cc1cc(N(CCO)CCO)ccc1CN.
What is the InChIKey of 2-[4-(aminomethyl)-N-(2-hydroxyethyl)-3-methylanilino]ethanol?
The InChIKey is PSVFUZAUNVSXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10-8-12(3-2-11(10)9-13)14(4-6-15)5-7-16/h2-3,8,15-16H,4-7,9,13H2,1H3.
What are the key properties of 2-[4-(aminomethyl)-N-(2-hydroxyethyl)-3-methylanilino]ethanol?
2-[4-(aminomethyl)-N-(2-hydroxyethyl)-3-methylanilino]ethanol has a molecular weight of 224.30 g/mol, XLogP of 0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-N-(2-hydroxyethyl)-3-methylanilino]ethanol is sourced from PubChem (CID 81273324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).