3-[1-(cyclopropylamino)butan-2-yloxy]-N,N-dimethylaniline

C15H24N2O — CID 62485952

IUPAC3-[1-(cyclopropylamino)butan-2-yloxy]-N,N-dimethylaniline
SMILESCCC(CNC1CC1)Oc1cccc(N(C)C)c1
InChIInChI=1S/C15H24N2O/c1-4-14(11-16-12-8-9-12)18-15-7-5-6-13(10-15)17(2)3/h5-7,10,12,14,16H,4,8-9,11H2,1-3H3
InChIKeyLDGYKLOMOFUMCN-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.66
Rot. Bonds7

About 3-[1-(cyclopropylamino)butan-2-yloxy]-N,N-dimethylaniline

3-[1-(cyclopropylamino)butan-2-yloxy]-N,N-dimethylaniline (PubChem CID 62485952) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[1-(cyclopropylamino)butan-2-yloxy]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[1-(cyclopropylamino)butan-2-yloxy]-N,N-dimethylaniline
PubChem CID62485952
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-[1-(cyclopropylamino)butan-2-yloxy]-N,N-dimethylaniline
SMILESCCC(CNC1CC1)Oc1cccc(N(C)C)c1
InChIInChI=1S/C15H24N2O/c1-4-14(11-16-12-8-9-12)18-15-7-5-6-13(10-15)17(2)3/h5-7,10,12,14,16H,4,8-9,11H2,1-3H3
InChIKeyLDGYKLOMOFUMCN-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-bromophenoxy)butyl]cyclopropanamine
CID 62460625
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CID 54798929
N-[2-(4-chlorophenoxy)butyl]cyclopropanamine
CID 62454944
N-[2-(3-fluorophenoxy)pentyl]cyclopropanamine
CID 83043805
N-[2-(4-tert-butylphenoxy)butyl]cyclopropanamine
CID 62454910
3-[1-(cyclopentylamino)propan-2-yloxy]-N,N-diethylaniline
CID 62583584
N-[2-(3-chlorophenoxy)-3-methoxypropyl]cyclopropanamine
CID 103228332
N,N-dimethyl-3-[1-(propylamino)propan-2-yloxy]aniline
CID 62485408
1,3-di(pentan-3-yloxy)benzene
CID 91386050
2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]-2-methylpentanenitrile
CID 64726650
N-[2-[3-(dimethylamino)phenoxy]ethyl]oxan-4-amine
CID 63099181
2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butanoic acid
CID 63039991

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopropylamino)butan-2-yloxy]-N,N-dimethylaniline?
The IUPAC name of 3-[1-(cyclopropylamino)butan-2-yloxy]-N,N-dimethylaniline (CID 62485952) is 3-[1-(cyclopropylamino)butan-2-yloxy]-N,N-dimethylaniline.
What is the SMILES notation for 3-[1-(cyclopropylamino)butan-2-yloxy]-N,N-dimethylaniline?
The canonical SMILES for 3-[1-(cyclopropylamino)butan-2-yloxy]-N,N-dimethylaniline is CCC(CNC1CC1)Oc1cccc(N(C)C)c1.
What is the InChIKey of 3-[1-(cyclopropylamino)butan-2-yloxy]-N,N-dimethylaniline?
The InChIKey is LDGYKLOMOFUMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-14(11-16-12-8-9-12)18-15-7-5-6-13(10-15)17(2)3/h5-7,10,12,14,16H,4,8-9,11H2,1-3H3.
What are the key properties of 3-[1-(cyclopropylamino)butan-2-yloxy]-N,N-dimethylaniline?
3-[1-(cyclopropylamino)butan-2-yloxy]-N,N-dimethylaniline has a molecular weight of 248.37 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopropylamino)butan-2-yloxy]-N,N-dimethylaniline is sourced from PubChem (CID 62485952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).