2-[2-[(cyclopropylamino)methyl]-N-propan-2-ylanilino]ethanol

C15H24N2O — CID 54994770

IUPAC2-[2-[(cyclopropylamino)methyl]-N-propan-2-ylanilino]ethanol
SMILESCC(C)N(CCO)c1ccccc1CNC1CC1
InChIInChI=1S/C15H24N2O/c1-12(2)17(9-10-18)15-6-4-3-5-13(15)11-16-14-7-8-14/h3-6,12,14,16,18H,7-11H2,1-2H3
InChIKeyNEKHDEXJOHTSDZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.15
Rot. Bonds7

About 2-[2-[(cyclopropylamino)methyl]-N-propan-2-ylanilino]ethanol

2-[2-[(cyclopropylamino)methyl]-N-propan-2-ylanilino]ethanol (PubChem CID 54994770) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[2-[(cyclopropylamino)methyl]-N-propan-2-ylanilino]ethanol.

Molecular Properties

Compound Name2-[2-[(cyclopropylamino)methyl]-N-propan-2-ylanilino]ethanol
PubChem CID54994770
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[2-[(cyclopropylamino)methyl]-N-propan-2-ylanilino]ethanol
SMILESCC(C)N(CCO)c1ccccc1CNC1CC1
InChIInChI=1S/C15H24N2O/c1-12(2)17(9-10-18)15-6-4-3-5-13(15)11-16-14-7-8-14/h3-6,12,14,16,18H,7-11H2,1-2H3
InChIKeyNEKHDEXJOHTSDZ-UHFFFAOYSA-N
XLogP2.15
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-propan-2-ylanilino]ethanol
CID 54994819
2-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylaniline
CID 43571414
3-[(cyclopropylamino)methyl]-N-ethyl-N-propan-2-ylpyridin-4-amine
CID 81249309
5-bromo-2-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82959718
N-[(2-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 55193476
3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-4-amine
CID 82953192
2-[2-[(cyclopropylamino)methyl]-N-methylanilino]-N,N-dimethylacetamide
CID 43375210
2-[5-bromo-2-[(cyclopropylamino)methyl]-N-methylanilino]ethanol
CID 54879396
2-[2-chloro-6-[(cyclopropylamino)methyl]-N-ethylanilino]ethanol
CID 114068233
2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82960379
3-[(cyclopropylamino)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine
CID 62284786
2-[2-[(tert-butylamino)methyl]-N-pentan-3-ylanilino]ethanol
CID 63070901

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(cyclopropylamino)methyl]-N-propan-2-ylanilino]ethanol?
The IUPAC name of 2-[2-[(cyclopropylamino)methyl]-N-propan-2-ylanilino]ethanol (CID 54994770) is 2-[2-[(cyclopropylamino)methyl]-N-propan-2-ylanilino]ethanol.
What is the SMILES notation for 2-[2-[(cyclopropylamino)methyl]-N-propan-2-ylanilino]ethanol?
The canonical SMILES for 2-[2-[(cyclopropylamino)methyl]-N-propan-2-ylanilino]ethanol is CC(C)N(CCO)c1ccccc1CNC1CC1.
What is the InChIKey of 2-[2-[(cyclopropylamino)methyl]-N-propan-2-ylanilino]ethanol?
The InChIKey is NEKHDEXJOHTSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)17(9-10-18)15-6-4-3-5-13(15)11-16-14-7-8-14/h3-6,12,14,16,18H,7-11H2,1-2H3.
What are the key properties of 2-[2-[(cyclopropylamino)methyl]-N-propan-2-ylanilino]ethanol?
2-[2-[(cyclopropylamino)methyl]-N-propan-2-ylanilino]ethanol has a molecular weight of 248.37 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(cyclopropylamino)methyl]-N-propan-2-ylanilino]ethanol is sourced from PubChem (CID 54994770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).