2-[N-cyclobutyl-4-[(2-methylpropylamino)methyl]anilino]ethanol

C17H28N2O — CID 102864906

IUPAC2-[N-cyclobutyl-4-[(2-methylpropylamino)methyl]anilino]ethanol
SMILESCC(C)CNCc1ccc(N(CCO)C2CCC2)cc1
InChIInChI=1S/C17H28N2O/c1-14(2)12-18-13-15-6-8-17(9-7-15)19(10-11-20)16-4-3-5-16/h6-9,14,16,18,20H,3-5,10-13H2,1-2H3
InChIKeyQYZXVJATLWFVII-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.78
Rot. Bonds8

About 2-[N-cyclobutyl-4-[(2-methylpropylamino)methyl]anilino]ethanol

2-[N-cyclobutyl-4-[(2-methylpropylamino)methyl]anilino]ethanol (PubChem CID 102864906) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[N-cyclobutyl-4-[(2-methylpropylamino)methyl]anilino]ethanol.

Molecular Properties

Compound Name2-[N-cyclobutyl-4-[(2-methylpropylamino)methyl]anilino]ethanol
PubChem CID102864906
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[N-cyclobutyl-4-[(2-methylpropylamino)methyl]anilino]ethanol
SMILESCC(C)CNCc1ccc(N(CCO)C2CCC2)cc1
InChIInChI=1S/C17H28N2O/c1-14(2)12-18-13-15-6-8-17(9-7-15)19(10-11-20)16-4-3-5-16/h6-9,14,16,18,20H,3-5,10-13H2,1-2H3
InChIKeyQYZXVJATLWFVII-UHFFFAOYSA-N
XLogP2.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.78
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-[N-cyclopentyl-4-(methylaminomethyl)anilino]ethanol
CID 54994543
N-cyclopropyl-N-(cyclopropylmethyl)-4-[(2-methylpropylamino)methyl]aniline
CID 64520020
2-[4-[(tert-butylamino)methyl]-N-cyclopentylanilino]ethanol
CID 63071100
2-[4-[(1R)-1-aminoethyl]-N-cyclohexylanilino]ethanol
CID 78935648
(1R)-1-[5-[cyclopentyl(2-hydroxyethyl)amino]-2-pyridinyl]ethanol
CID 83132145
2-(4-amino-N-cyclobutylanilino)ethanol
CID 102859463
N-(cyclopentylmethyl)-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63630568
N-[(4-cyclopropylphenyl)methyl]-2-methylpropan-1-amine
CID 79979534
2-(1-aminoethyl)-5-[cyclobutyl(2-hydroxyethyl)amino]phenol
CID 102863464
N-butyl-N-[[4-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine
CID 62429494
N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63060702
N'-cyclopentyl-N-[[4-(dimethylamino)phenyl]methyl]-N'-methylethane-1,2-diamine
CID 63314701

Frequently Asked Questions

What is the IUPAC name of 2-[N-cyclobutyl-4-[(2-methylpropylamino)methyl]anilino]ethanol?
The IUPAC name of 2-[N-cyclobutyl-4-[(2-methylpropylamino)methyl]anilino]ethanol (CID 102864906) is 2-[N-cyclobutyl-4-[(2-methylpropylamino)methyl]anilino]ethanol.
What is the SMILES notation for 2-[N-cyclobutyl-4-[(2-methylpropylamino)methyl]anilino]ethanol?
The canonical SMILES for 2-[N-cyclobutyl-4-[(2-methylpropylamino)methyl]anilino]ethanol is CC(C)CNCc1ccc(N(CCO)C2CCC2)cc1.
What is the InChIKey of 2-[N-cyclobutyl-4-[(2-methylpropylamino)methyl]anilino]ethanol?
The InChIKey is QYZXVJATLWFVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(2)12-18-13-15-6-8-17(9-7-15)19(10-11-20)16-4-3-5-16/h6-9,14,16,18,20H,3-5,10-13H2,1-2H3.
What are the key properties of 2-[N-cyclobutyl-4-[(2-methylpropylamino)methyl]anilino]ethanol?
2-[N-cyclobutyl-4-[(2-methylpropylamino)methyl]anilino]ethanol has a molecular weight of 276.42 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-cyclobutyl-4-[(2-methylpropylamino)methyl]anilino]ethanol is sourced from PubChem (CID 102864906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).