2-[N-cyclohexyl-3-methyl-4-(methylaminomethyl)anilino]ethanol

C17H28N2O — CID 62130646

IUPAC2-[N-cyclohexyl-3-methyl-4-(methylaminomethyl)anilino]ethanol
SMILESCNCc1ccc(N(CCO)C2CCCCC2)cc1C
InChIInChI=1S/C17H28N2O/c1-14-12-17(9-8-15(14)13-18-2)19(10-11-20)16-6-4-3-5-7-16/h8-9,12,16,18,20H,3-7,10-11,13H2,1-2H3
InChIKeyRWWBXIBCBRAPJL-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.85
Rot. Bonds6

About 2-[N-cyclohexyl-3-methyl-4-(methylaminomethyl)anilino]ethanol

2-[N-cyclohexyl-3-methyl-4-(methylaminomethyl)anilino]ethanol (PubChem CID 62130646) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[N-cyclohexyl-3-methyl-4-(methylaminomethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[N-cyclohexyl-3-methyl-4-(methylaminomethyl)anilino]ethanol
PubChem CID62130646
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[N-cyclohexyl-3-methyl-4-(methylaminomethyl)anilino]ethanol
SMILESCNCc1ccc(N(CCO)C2CCCCC2)cc1C
InChIInChI=1S/C17H28N2O/c1-14-12-17(9-8-15(14)13-18-2)19(10-11-20)16-6-4-3-5-7-16/h8-9,12,16,18,20H,3-7,10-11,13H2,1-2H3
InChIKeyRWWBXIBCBRAPJL-UHFFFAOYSA-N
XLogP2.85
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-cyclopropyl-3-methyl-4-(methylaminomethyl)aniline
CID 62136236
2-[N-cyclopentyl-4-(methylaminomethyl)anilino]ethanol
CID 54994543
4-[cyclohexyl(2-hydroxyethyl)amino]-2-methylbenzenecarbothioamide
CID 81277043
2-[N-cyclobutyl-4-methyl-2-(methylaminomethyl)anilino]ethanol
CID 114055126
N-cyclopentyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline
CID 62136544
2-[4-(aminomethyl)-3-chloro-N-cyclohexylanilino]ethanol
CID 62945689
2-[3-bromo-N-cyclopentyl-4-(hydroxymethyl)anilino]ethanol
CID 114060297
2-[5-bromo-N-cyclopropyl-2-(methylaminomethyl)anilino]ethanol
CID 54994722
2-[4-(aminomethyl)-3-chloro-N-cyclopentylanilino]ethanol
CID 55152420
2-[cyclopentyl-[2-(methylamino)-4-pyridinyl]amino]ethanol
CID 113367679
2-(N-cyclobutyl-3-methyl-4-nitroanilino)ethanol
CID 102675216
2-[4-(aminomethyl)-N-cyclopentyl-3-fluoroanilino]ethanol
CID 113295415

Frequently Asked Questions

What is the IUPAC name of 2-[N-cyclohexyl-3-methyl-4-(methylaminomethyl)anilino]ethanol?
The IUPAC name of 2-[N-cyclohexyl-3-methyl-4-(methylaminomethyl)anilino]ethanol (CID 62130646) is 2-[N-cyclohexyl-3-methyl-4-(methylaminomethyl)anilino]ethanol.
What is the SMILES notation for 2-[N-cyclohexyl-3-methyl-4-(methylaminomethyl)anilino]ethanol?
The canonical SMILES for 2-[N-cyclohexyl-3-methyl-4-(methylaminomethyl)anilino]ethanol is CNCc1ccc(N(CCO)C2CCCCC2)cc1C.
What is the InChIKey of 2-[N-cyclohexyl-3-methyl-4-(methylaminomethyl)anilino]ethanol?
The InChIKey is RWWBXIBCBRAPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14-12-17(9-8-15(14)13-18-2)19(10-11-20)16-6-4-3-5-7-16/h8-9,12,16,18,20H,3-7,10-11,13H2,1-2H3.
What are the key properties of 2-[N-cyclohexyl-3-methyl-4-(methylaminomethyl)anilino]ethanol?
2-[N-cyclohexyl-3-methyl-4-(methylaminomethyl)anilino]ethanol has a molecular weight of 276.42 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-cyclohexyl-3-methyl-4-(methylaminomethyl)anilino]ethanol is sourced from PubChem (CID 62130646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).