2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butan-1-ol

C15H24N2O2 — CID 64810584

IUPAC2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butan-1-ol
SMILESCN(C)c1cccc(OCCC(CO)NC2CC2)c1
InChIInChI=1S/C15H24N2O2/c1-17(2)14-4-3-5-15(10-14)19-9-8-13(11-18)16-12-6-7-12/h3-5,10,12-13,16,18H,6-9,11H2,1-2H3
InChIKeyZSXIYWFEZRKRAU-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.63
Rot. Bonds8

About 2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butan-1-ol

2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butan-1-ol (PubChem CID 64810584) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butan-1-ol
PubChem CID64810584
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butan-1-ol
SMILESCN(C)c1cccc(OCCC(CO)NC2CC2)c1
InChIInChI=1S/C15H24N2O2/c1-17(2)14-4-3-5-15(10-14)19-9-8-13(11-18)16-12-6-7-12/h3-5,10,12-13,16,18H,6-9,11H2,1-2H3
InChIKeyZSXIYWFEZRKRAU-UHFFFAOYSA-N
XLogP1.63
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butanoic acid
CID 63039991
4-[3-(dimethylamino)phenoxy]-2-(propylamino)butan-1-ol
CID 64809761
2-amino-4-[3-(dimethylamino)phenoxy]butan-1-ol
CID 64809356
4-[3-(dimethylamino)phenoxy]-3-(methylamino)butan-1-ol
CID 64900161
2-(cyclopropylamino)-3-(N,3-dimethylanilino)propan-1-ol
CID 64789933
N-[2-[3-(dimethylamino)phenoxy]ethyl]oxan-4-amine
CID 63099181
2-(cyclopropylamino)-3-(3-fluoro-N-methylanilino)propan-1-ol
CID 64789581
5-[3-(dimethylamino)phenoxy]-3-hydroxypentanenitrile
CID 112508200
ethyl 4-[3-(dimethylamino)phenoxy]-2-(methylamino)butanoate
CID 63040178
2-(cyclopropylamino)-3-phenoxypropan-1-ol
CID 64804143
2-(cyclopropylamino)-4-(5-fluoro-2-methylphenoxy)butan-1-ol
CID 102988049
4-[3-(dimethylamino)phenoxy]-2-(pyrrolidine-1-carbonyl)butanenitrile
CID 82136808

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butan-1-ol (CID 64810584) is 2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butan-1-ol is CN(C)c1cccc(OCCC(CO)NC2CC2)c1.
What is the InChIKey of 2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butan-1-ol?
The InChIKey is ZSXIYWFEZRKRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-17(2)14-4-3-5-15(10-14)19-9-8-13(11-18)16-12-6-7-12/h3-5,10,12-13,16,18H,6-9,11H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butan-1-ol?
2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butan-1-ol is sourced from PubChem (CID 64810584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).