2-[N-cyclopentyl-4-(methylaminomethyl)anilino]ethanol

C15H24N2O — CID 54994543

IUPAC2-[N-cyclopentyl-4-(methylaminomethyl)anilino]ethanol
SMILESCNCc1ccc(N(CCO)C2CCCC2)cc1
InChIInChI=1S/C15H24N2O/c1-16-12-13-6-8-15(9-7-13)17(10-11-18)14-4-2-3-5-14/h6-9,14,16,18H,2-5,10-12H2,1H3
InChIKeyIUTJXZMMZPQGDR-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.15
Rot. Bonds6

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

2-[N-cyclopentyl-4-(methylaminomethyl)anilino]ethanol (PubChem CID 54994543) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[N-cyclopentyl-4-(methylaminomethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[N-cyclopentyl-4-(methylaminomethyl)anilino]ethanol
PubChem CID54994543
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[N-cyclopentyl-4-(methylaminomethyl)anilino]ethanol
SMILESCNCc1ccc(N(CCO)C2CCCC2)cc1
InChIInChI=1S/C15H24N2O/c1-16-12-13-6-8-15(9-7-13)17(10-11-18)14-4-2-3-5-14/h6-9,14,16,18H,2-5,10-12H2,1H3
InChIKeyIUTJXZMMZPQGDR-UHFFFAOYSA-N
XLogP2.15
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.15
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

2-[4-[(tert-butylamino)methyl]-N-cyclopentylanilino]ethanol
CID 63071100
2-[N-cyclobutyl-4-[(2-methylpropylamino)methyl]anilino]ethanol
CID 102864906
2-[N-cyclopentyl-2,6-difluoro-4-(methylaminomethyl)anilino]ethanol
CID 63076112
2-[N-cyclohexyl-3-methyl-4-(methylaminomethyl)anilino]ethanol
CID 62130646
2-[2-bromo-N-cyclobutyl-4-(methylaminomethyl)anilino]ethanol
CID 114062871
2-[N-cyclopropyl-2-methyl-4-(methylaminomethyl)anilino]ethanol
CID 62123664
2-(4-amino-N-cyclobutylanilino)ethanol
CID 102859463
2-[4-[(1R)-1-aminoethyl]-N-cyclohexylanilino]ethanol
CID 78935648
2-[N-cyclopropyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol
CID 54995402
2-[cyclopentyl-[2-(methylamino)-4-pyridinyl]amino]ethanol
CID 113367679
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]cyclohexanamine
CID 62424446
2-[N-cyclobutyl-4-methyl-2-(methylaminomethyl)anilino]ethanol
CID 114055126

Frequently Asked Questions

What is the IUPAC name of 2-[N-cyclopentyl-4-(methylaminomethyl)anilino]ethanol?
The IUPAC name of 2-[N-cyclopentyl-4-(methylaminomethyl)anilino]ethanol (CID 54994543) is 2-[N-cyclopentyl-4-(methylaminomethyl)anilino]ethanol.
What is the SMILES notation for 2-[N-cyclopentyl-4-(methylaminomethyl)anilino]ethanol?
The canonical SMILES for 2-[N-cyclopentyl-4-(methylaminomethyl)anilino]ethanol is CNCc1ccc(N(CCO)C2CCCC2)cc1.
What is the InChIKey of 2-[N-cyclopentyl-4-(methylaminomethyl)anilino]ethanol?
The InChIKey is IUTJXZMMZPQGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-16-12-13-6-8-15(9-7-13)17(10-11-18)14-4-2-3-5-14/h6-9,14,16,18H,2-5,10-12H2,1H3.
What are the key properties of 2-[N-cyclopentyl-4-(methylaminomethyl)anilino]ethanol?
2-[N-cyclopentyl-4-(methylaminomethyl)anilino]ethanol has a molecular weight of 248.37 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-cyclopentyl-4-(methylaminomethyl)anilino]ethanol is sourced from PubChem (CID 54994543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).