3-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]phenol

C15H26N2O — CID 103734415

IUPAC3-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]phenol
SMILESCCN(CCCN(C)C)C(C)c1cccc(O)c1
InChIInChI=1S/C15H26N2O/c1-5-17(11-7-10-16(3)4)13(2)14-8-6-9-15(18)12-14/h6,8-9,12-13,18H,5,7,10-11H2,1-4H3
InChIKeyUVSZBTBAWTXJSX-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.73
Rot. Bonds7

About 3-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]phenol

3-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]phenol (PubChem CID 103734415) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]phenol
PubChem CID103734415
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]phenol
SMILESCCN(CCCN(C)C)C(C)c1cccc(O)c1
InChIInChI=1S/C15H26N2O/c1-5-17(11-7-10-16(3)4)13(2)14-8-6-9-15(18)12-14/h6,8-9,12-13,18H,5,7,10-11H2,1-4H3
InChIKeyUVSZBTBAWTXJSX-UHFFFAOYSA-N
XLogP2.73
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1S)-1-[2-(tert-butylamino)ethyl-ethylamino]ethyl]phenol
CID 58313590
4-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]-2-methoxyphenol
CID 102999085
3-[(1R)-1-(dimethylamino)ethyl]phenol
CID 10313270
2-[butyl(ethyl)amino]-2-(3-hydroxyphenyl)ethanethioamide
CID 84749068
3-[1-(dimethylamino)propan-2-yl]phenol
CID 3029890
3-[2-amino-4-(dimethylamino)-1-hydroxybutyl]phenol
CID 83930273
2-[1-(3-hydroxyphenyl)ethyl-propylamino]-N-methylacetamide
CID 82985774
3-[1-(N-butylanilino)ethyl]phenol
CID 82980304
2-(diethylamino)-2-(3-hydroxyphenyl)acetonitrile
CID 43802702
3-[1-(dimethylamino)-2-methylpentyl]phenol
CID 123306996
3-[1-[2-aminoethyl(benzyl)amino]ethyl]phenol
CID 106511324
2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide
CID 60953617

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]phenol?
The IUPAC name of 3-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]phenol (CID 103734415) is 3-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]phenol.
What is the SMILES notation for 3-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]phenol?
The canonical SMILES for 3-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]phenol is CCN(CCCN(C)C)C(C)c1cccc(O)c1.
What is the InChIKey of 3-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]phenol?
The InChIKey is UVSZBTBAWTXJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-17(11-7-10-16(3)4)13(2)14-8-6-9-15(18)12-14/h6,8-9,12-13,18H,5,7,10-11H2,1-4H3.
What are the key properties of 3-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]phenol?
3-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]phenol has a molecular weight of 250.39 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]phenol is sourced from PubChem (CID 103734415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).