2-[N-cyclopropyl-2-methyl-4-(methylaminomethyl)anilino]ethanol

C14H22N2O — CID 62123664

IUPAC2-[N-cyclopropyl-2-methyl-4-(methylaminomethyl)anilino]ethanol
SMILESCNCc1ccc(N(CCO)C2CC2)c(C)c1
InChIInChI=1S/C14H22N2O/c1-11-9-12(10-15-2)3-6-14(11)16(7-8-17)13-4-5-13/h3,6,9,13,15,17H,4-5,7-8,10H2,1-2H3
InChIKeyFNRJOSMOJBFWDA-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.68
Rot. Bonds6

About 2-[N-cyclopropyl-2-methyl-4-(methylaminomethyl)anilino]ethanol

2-[N-cyclopropyl-2-methyl-4-(methylaminomethyl)anilino]ethanol (PubChem CID 62123664) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[N-cyclopropyl-2-methyl-4-(methylaminomethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[N-cyclopropyl-2-methyl-4-(methylaminomethyl)anilino]ethanol
PubChem CID62123664
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[N-cyclopropyl-2-methyl-4-(methylaminomethyl)anilino]ethanol
SMILESCNCc1ccc(N(CCO)C2CC2)c(C)c1
InChIInChI=1S/C14H22N2O/c1-11-9-12(10-15-2)3-6-14(11)16(7-8-17)13-4-5-13/h3,6,9,13,15,17H,4-5,7-8,10H2,1-2H3
InChIKeyFNRJOSMOJBFWDA-UHFFFAOYSA-N
XLogP1.68
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-[N-cyclopropyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol
CID 54995402
2-[2-bromo-N-cyclobutyl-4-(methylaminomethyl)anilino]ethanol
CID 114062871
3-[N-cyclobutyl-2-methyl-4-(propylaminomethyl)anilino]propan-1-ol
CID 102864620
4-[cyclopropyl(2-hydroxyethyl)amino]-3-methylbenzonitrile
CID 61145884
2-[N-cyclopentyl-4-(methylaminomethyl)anilino]ethanol
CID 54994543
2-[5-bromo-N-cyclopropyl-2-(methylaminomethyl)anilino]ethanol
CID 54994722
2-[N-cyclobutyl-4-methyl-2-(methylaminomethyl)anilino]ethanol
CID 114055126
N,2-dimethyl-4-(methylaminomethyl)-N-(4-methylcyclohexyl)aniline
CID 62122416
N-cyclopropyl-2-methyl-4-[(propan-2-ylamino)methyl]-N-propylaniline
CID 62120321
[4-[cyclopropyl(2-methoxyethyl)amino]-3-methylphenyl]methanol
CID 55040023
2-[N-benzyl-2-methyl-4-(methylaminomethyl)anilino]ethanol
CID 62125453
N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-2-methylaniline
CID 62123829

Frequently Asked Questions

What is the IUPAC name of 2-[N-cyclopropyl-2-methyl-4-(methylaminomethyl)anilino]ethanol?
The IUPAC name of 2-[N-cyclopropyl-2-methyl-4-(methylaminomethyl)anilino]ethanol (CID 62123664) is 2-[N-cyclopropyl-2-methyl-4-(methylaminomethyl)anilino]ethanol.
What is the SMILES notation for 2-[N-cyclopropyl-2-methyl-4-(methylaminomethyl)anilino]ethanol?
The canonical SMILES for 2-[N-cyclopropyl-2-methyl-4-(methylaminomethyl)anilino]ethanol is CNCc1ccc(N(CCO)C2CC2)c(C)c1.
What is the InChIKey of 2-[N-cyclopropyl-2-methyl-4-(methylaminomethyl)anilino]ethanol?
The InChIKey is FNRJOSMOJBFWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-9-12(10-15-2)3-6-14(11)16(7-8-17)13-4-5-13/h3,6,9,13,15,17H,4-5,7-8,10H2,1-2H3.
What are the key properties of 2-[N-cyclopropyl-2-methyl-4-(methylaminomethyl)anilino]ethanol?
2-[N-cyclopropyl-2-methyl-4-(methylaminomethyl)anilino]ethanol has a molecular weight of 234.34 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-cyclopropyl-2-methyl-4-(methylaminomethyl)anilino]ethanol is sourced from PubChem (CID 62123664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).