1-[2-[2-(diethylamino)ethoxy]phenyl]-N-methylpropan-1-amine

C16H28N2O — CID 43279062

IUPAC1-[2-[2-(diethylamino)ethoxy]phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1OCCN(CC)CC
InChIInChI=1S/C16H28N2O/c1-5-15(17-4)14-10-8-9-11-16(14)19-13-12-18(6-2)7-3/h8-11,15,17H,5-7,12-13H2,1-4H3
InChIKeyKKDJUEHTMVPVQQ-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.08
Rot. Bonds9

About 1-[2-[2-(diethylamino)ethoxy]phenyl]-N-methylpropan-1-amine

1-[2-[2-(diethylamino)ethoxy]phenyl]-N-methylpropan-1-amine (PubChem CID 43279062) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-[2-[2-(diethylamino)ethoxy]phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[2-[2-(diethylamino)ethoxy]phenyl]-N-methylpropan-1-amine
PubChem CID43279062
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-[2-[2-(diethylamino)ethoxy]phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1OCCN(CC)CC
InChIInChI=1S/C16H28N2O/c1-5-15(17-4)14-10-8-9-11-16(14)19-13-12-18(6-2)7-3/h8-11,15,17H,5-7,12-13H2,1-4H3
InChIKeyKKDJUEHTMVPVQQ-UHFFFAOYSA-N
XLogP3.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(dimethylamino)ethoxy]phenyl]-N-methylpropan-1-amine
CID 43279076
(1S)-1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-ol
CID 78930393
1-[2-(2-butoxyethoxy)phenyl]-N-methylpropan-1-amine
CID 61483273
N-methyl-1-[2-(2-methylsulfonylethoxy)phenyl]propan-1-amine
CID 54937325
1-[2-(3-methoxy-3-methylbutoxy)phenyl]-N-methylpropan-1-amine
CID 103032683
N-methyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-1-amine
CID 61492192
N,N-diethyl-3-(2-propan-2-ylphenoxy)propan-1-amine
CID 2263014
N-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
CID 60883030
4-[2-[(2R)-butan-2-yl]phenoxy]-N,N-diethylbutan-1-amine
CID 2298137
2,2-dimethyl-5-[2-[1-(methylamino)propyl]phenoxy]pentanenitrile
CID 65256837
1-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylpropan-1-amine
CID 63500622
1,1,1-trifluoro-3-[2-[1-(methylamino)propyl]phenoxy]propan-2-ol
CID 63899388

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(diethylamino)ethoxy]phenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[2-[2-(diethylamino)ethoxy]phenyl]-N-methylpropan-1-amine (CID 43279062) is 1-[2-[2-(diethylamino)ethoxy]phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[2-[2-(diethylamino)ethoxy]phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[2-[2-(diethylamino)ethoxy]phenyl]-N-methylpropan-1-amine is CCC(NC)c1ccccc1OCCN(CC)CC.
What is the InChIKey of 1-[2-[2-(diethylamino)ethoxy]phenyl]-N-methylpropan-1-amine?
The InChIKey is KKDJUEHTMVPVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-15(17-4)14-10-8-9-11-16(14)19-13-12-18(6-2)7-3/h8-11,15,17H,5-7,12-13H2,1-4H3.
What are the key properties of 1-[2-[2-(diethylamino)ethoxy]phenyl]-N-methylpropan-1-amine?
1-[2-[2-(diethylamino)ethoxy]phenyl]-N-methylpropan-1-amine has a molecular weight of 264.41 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(diethylamino)ethoxy]phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 43279062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).