1-[3-[2-(diethylamino)ethoxy]phenyl]butan-2-amine

C16H28N2O — CID 54929499

IUPAC1-[3-[2-(diethylamino)ethoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(OCCN(CC)CC)c1
InChIInChI=1S/C16H28N2O/c1-4-15(17)12-14-8-7-9-16(13-14)19-11-10-18(5-2)6-3/h7-9,13,15H,4-6,10-12,17H2,1-3H3
InChIKeyHFLLEBKWERSBFE-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.69
Rot. Bonds9

About 1-[3-[2-(diethylamino)ethoxy]phenyl]butan-2-amine

1-[3-[2-(diethylamino)ethoxy]phenyl]butan-2-amine (PubChem CID 54929499) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-[3-[2-(diethylamino)ethoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-[2-(diethylamino)ethoxy]phenyl]butan-2-amine
PubChem CID54929499
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-[3-[2-(diethylamino)ethoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(OCCN(CC)CC)c1
InChIInChI=1S/C16H28N2O/c1-4-15(17)12-14-8-7-9-16(13-14)19-11-10-18(5-2)6-3/h7-9,13,15H,4-6,10-12,17H2,1-3H3
InChIKeyHFLLEBKWERSBFE-UHFFFAOYSA-N
XLogP2.69
TPSA38.49 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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-ethylsulfonylpropoxy)phenyl]butan-2-amine
CID 65095474
1-[3-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine
CID 103036253
1-[3-(2-pyridin-4-ylethoxy)phenyl]butan-2-amine
CID 60907126
methyl 3-[3-(2-aminobutyl)phenoxy]propanoate
CID 63947689
1-(3-hept-6-enoxyphenyl)butan-2-amine
CID 107009907
1-(3-prop-2-ynoxyphenyl)butan-2-amine
CID 60907609
1-[3-(2,2,2-trifluoroethoxy)phenyl]butan-2-amine
CID 54929405
3-[3-(2-aminobutyl)phenoxy]-N-methylpropanamide
CID 62325770
1-[3-(pyrimidin-2-ylmethoxy)phenyl]butan-2-amine
CID 62699406
1-[3-(3-methylbut-2-enoxy)phenyl]butan-2-amine
CID 54929170
methyl 2-[3-(2-aminobutyl)phenoxy]acetate
CID 54929271
1-[3-(cyclobutylmethoxy)phenyl]butan-2-amine
CID 65459310

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(diethylamino)ethoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[3-[2-(diethylamino)ethoxy]phenyl]butan-2-amine (CID 54929499) is 1-[3-[2-(diethylamino)ethoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-[2-(diethylamino)ethoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[3-[2-(diethylamino)ethoxy]phenyl]butan-2-amine is CCC(N)Cc1cccc(OCCN(CC)CC)c1.
What is the InChIKey of 1-[3-[2-(diethylamino)ethoxy]phenyl]butan-2-amine?
The InChIKey is HFLLEBKWERSBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-15(17)12-14-8-7-9-16(13-14)19-11-10-18(5-2)6-3/h7-9,13,15H,4-6,10-12,17H2,1-3H3.
What are the key properties of 1-[3-[2-(diethylamino)ethoxy]phenyl]butan-2-amine?
1-[3-[2-(diethylamino)ethoxy]phenyl]butan-2-amine has a molecular weight of 264.41 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(diethylamino)ethoxy]phenyl]butan-2-amine is sourced from PubChem (CID 54929499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).