2-[N-cyclopropyl-2-[1-(methylamino)propyl]anilino]ethanol

C15H24N2O — CID 112678034

IUPAC2-[N-cyclopropyl-2-[1-(methylamino)propyl]anilino]ethanol
SMILESCCC(NC)c1ccccc1N(CCO)C1CC1
InChIInChI=1S/C15H24N2O/c1-3-14(16-2)13-6-4-5-7-15(13)17(10-11-18)12-8-9-12/h4-7,12,14,16,18H,3,8-11H2,1-2H3
InChIKeyAKPPPLQFFLVOPL-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.32
Rot. Bonds7

About 2-[N-cyclopropyl-2-[1-(methylamino)propyl]anilino]ethanol

2-[N-cyclopropyl-2-[1-(methylamino)propyl]anilino]ethanol (PubChem CID 112678034) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[N-cyclopropyl-2-[1-(methylamino)propyl]anilino]ethanol.

Molecular Properties

Compound Name2-[N-cyclopropyl-2-[1-(methylamino)propyl]anilino]ethanol
PubChem CID112678034
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[N-cyclopropyl-2-[1-(methylamino)propyl]anilino]ethanol
SMILESCCC(NC)c1ccccc1N(CCO)C1CC1
InChIInChI=1S/C15H24N2O/c1-3-14(16-2)13-6-4-5-7-15(13)17(10-11-18)12-8-9-12/h4-7,12,14,16,18H,3,8-11H2,1-2H3
InChIKeyAKPPPLQFFLVOPL-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(methylamino)propyl]aniline
CID 112678176
2-[2-[(1R)-1-aminoethyl]-N-cyclopropylanilino]ethanol
CID 78935565
2-[2-[(1S)-1-aminoethyl]-N-cyclopropylanilino]ethanol
CID 63368640
2-[2-[(1R)-1-aminopropyl]-N-cyclopentylanilino]ethanol
CID 103958723
2-[2-(1-aminopropyl)-N-cyclohexylanilino]ethanol
CID 115995044
2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol
CID 102863448
N-cyclohexyl-N-methyl-2-[1-(methylamino)propyl]aniline
CID 112677774
1-[2-[cyclobutyl(3-hydroxypropyl)amino]phenyl]propan-1-ol
CID 102864135
N-cyclopropyl-N-ethyl-2-[1-(propylamino)propyl]aniline
CID 112677823
N-cyclopropyl-N-(2-methoxyethyl)-2-[1-(propylamino)propyl]aniline
CID 115995005
(1S)-1-[2-[cyclopropyl(ethyl)amino]phenyl]propan-1-ol
CID 103959730
N-cyclopropyl-2-[1-(ethylamino)propyl]-N-prop-2-enylaniline
CID 112678265

Frequently Asked Questions

What is the IUPAC name of 2-[N-cyclopropyl-2-[1-(methylamino)propyl]anilino]ethanol?
The IUPAC name of 2-[N-cyclopropyl-2-[1-(methylamino)propyl]anilino]ethanol (CID 112678034) is 2-[N-cyclopropyl-2-[1-(methylamino)propyl]anilino]ethanol.
What is the SMILES notation for 2-[N-cyclopropyl-2-[1-(methylamino)propyl]anilino]ethanol?
The canonical SMILES for 2-[N-cyclopropyl-2-[1-(methylamino)propyl]anilino]ethanol is CCC(NC)c1ccccc1N(CCO)C1CC1.
What is the InChIKey of 2-[N-cyclopropyl-2-[1-(methylamino)propyl]anilino]ethanol?
The InChIKey is AKPPPLQFFLVOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-14(16-2)13-6-4-5-7-15(13)17(10-11-18)12-8-9-12/h4-7,12,14,16,18H,3,8-11H2,1-2H3.
What are the key properties of 2-[N-cyclopropyl-2-[1-(methylamino)propyl]anilino]ethanol?
2-[N-cyclopropyl-2-[1-(methylamino)propyl]anilino]ethanol has a molecular weight of 248.37 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-cyclopropyl-2-[1-(methylamino)propyl]anilino]ethanol is sourced from PubChem (CID 112678034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).