2-[2-[(tert-butylamino)methyl]-N-pentan-3-ylanilino]ethanol

C18H32N2O — CID 63070901

IUPAC2-[2-[(tert-butylamino)methyl]-N-pentan-3-ylanilino]ethanol
SMILESCCC(CC)N(CCO)c1ccccc1CNC(C)(C)C
InChIInChI=1S/C18H32N2O/c1-6-16(7-2)20(12-13-21)17-11-9-8-10-15(17)14-19-18(3,4)5/h8-11,16,19,21H,6-7,12-14H2,1-5H3
InChIKeyDLWYFSUMDWLRFO-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.56
Rot. Bonds8

About 2-[2-[(tert-butylamino)methyl]-N-pentan-3-ylanilino]ethanol

2-[2-[(tert-butylamino)methyl]-N-pentan-3-ylanilino]ethanol (PubChem CID 63070901) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-[2-[(tert-butylamino)methyl]-N-pentan-3-ylanilino]ethanol.

Molecular Properties

Compound Name2-[2-[(tert-butylamino)methyl]-N-pentan-3-ylanilino]ethanol
PubChem CID63070901
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name2-[2-[(tert-butylamino)methyl]-N-pentan-3-ylanilino]ethanol
SMILESCCC(CC)N(CCO)c1ccccc1CNC(C)(C)C
InChIInChI=1S/C18H32N2O/c1-6-16(7-2)20(12-13-21)17-11-9-8-10-15(17)14-19-18(3,4)5/h8-11,16,19,21H,6-7,12-14H2,1-5H3
InChIKeyDLWYFSUMDWLRFO-UHFFFAOYSA-N
XLogP3.56
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-hydroxyethyl(pentan-3-yl)amino]benzenesulfonamide
CID 54998715
N-[[2-[(tert-butylamino)methyl]phenyl]methyl]-N-methylpentan-3-amine
CID 62433557
2-[2-hydroxyethyl(pentan-3-yl)amino]benzaldehyde
CID 54994145
2-[2-[(tert-butylamino)methyl]-5-chloro-N-propan-2-ylanilino]ethanol
CID 114849745
2-[N-(2-amino-2-oxoethyl)-2-[(tert-butylamino)methyl]anilino]acetamide
CID 63072276
2-[(tert-butylamino)methyl]-N-methyl-N-phenylaniline
CID 63060146
2-[(tert-butylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 81057039
2-[2-[(cyclopropylamino)methyl]-N-propan-2-ylanilino]ethanol
CID 54994770
2-(2-methyl-3-nitro-N-pentan-3-ylanilino)ethanol
CID 63077643
2-[2-(aminomethyl)-5-methyl-N-pentan-3-ylanilino]ethanol
CID 62307448
1-N-tert-butyl-2-N-ethyl-2-N-(2-fluorophenyl)butane-1,2-diamine
CID 55074031
N-[2-[(tert-butylamino)methyl]phenyl]-N-methylcycloheptanamine
CID 63552828

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(tert-butylamino)methyl]-N-pentan-3-ylanilino]ethanol?
The IUPAC name of 2-[2-[(tert-butylamino)methyl]-N-pentan-3-ylanilino]ethanol (CID 63070901) is 2-[2-[(tert-butylamino)methyl]-N-pentan-3-ylanilino]ethanol.
What is the SMILES notation for 2-[2-[(tert-butylamino)methyl]-N-pentan-3-ylanilino]ethanol?
The canonical SMILES for 2-[2-[(tert-butylamino)methyl]-N-pentan-3-ylanilino]ethanol is CCC(CC)N(CCO)c1ccccc1CNC(C)(C)C.
What is the InChIKey of 2-[2-[(tert-butylamino)methyl]-N-pentan-3-ylanilino]ethanol?
The InChIKey is DLWYFSUMDWLRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-6-16(7-2)20(12-13-21)17-11-9-8-10-15(17)14-19-18(3,4)5/h8-11,16,19,21H,6-7,12-14H2,1-5H3.
What are the key properties of 2-[2-[(tert-butylamino)methyl]-N-pentan-3-ylanilino]ethanol?
2-[2-[(tert-butylamino)methyl]-N-pentan-3-ylanilino]ethanol has a molecular weight of 292.47 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(tert-butylamino)methyl]-N-pentan-3-ylanilino]ethanol is sourced from PubChem (CID 63070901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).