1-ethoxy-N,3-dimethyl-3-phenylbutan-2-amine

C14H23NO — CID 79574847

IUPAC1-ethoxy-N,3-dimethyl-3-phenylbutan-2-amine
SMILESCCOCC(NC)C(C)(C)c1ccccc1
InChIInChI=1S/C14H23NO/c1-5-16-11-13(15-4)14(2,3)12-9-7-6-8-10-12/h6-10,13,15H,5,11H2,1-4H3
InChIKeyZGBGGMNEKDIDJL-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.59
Rot. Bonds6

About 1-ethoxy-N,3-dimethyl-3-phenylbutan-2-amine

1-ethoxy-N,3-dimethyl-3-phenylbutan-2-amine (PubChem CID 79574847) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-ethoxy-N,3-dimethyl-3-phenylbutan-2-amine.

Molecular Properties

Compound Name1-ethoxy-N,3-dimethyl-3-phenylbutan-2-amine
PubChem CID79574847
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-ethoxy-N,3-dimethyl-3-phenylbutan-2-amine
SMILESCCOCC(NC)C(C)(C)c1ccccc1
InChIInChI=1S/C14H23NO/c1-5-16-11-13(15-4)14(2,3)12-9-7-6-8-10-12/h6-10,13,15H,5,11H2,1-4H3
InChIKeyZGBGGMNEKDIDJL-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,4-trimethyl-2-phenylhexan-3-amine
CID 79446708
N,3-dimethyl-1-(2-methylphenyl)-3-phenylbutan-2-amine
CID 63084673
1-ethoxy-N,3,3-trimethylpentan-2-amine
CID 105007892
1-(3-chlorophenyl)-N,3-dimethyl-3-phenylbutan-2-amine
CID 63086067
N,2,6-trimethyl-2-phenylhept-6-en-3-amine
CID 114474619
2,7-dimethyl-2-phenyl-N-propyloctan-3-amine
CID 83162206
(2-methyl-2-phenylhexan-3-yl)hydrazine
CID 105216295
N,3-dimethyl-3-phenyl-1-pyridin-3-ylbutan-2-amine
CID 104736266
1-ethoxy-N-methyl-3-phenoxypropan-2-amine
CID 79574032
N-ethyl-2,5-dimethyl-2,5-diphenylhexan-3-amine
CID 154638784
1-(2-bromophenyl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine
CID 64768760
(2-ethoxy-1,1-diphenylethyl)benzene
CID 58693364

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N,3-dimethyl-3-phenylbutan-2-amine?
The IUPAC name of 1-ethoxy-N,3-dimethyl-3-phenylbutan-2-amine (CID 79574847) is 1-ethoxy-N,3-dimethyl-3-phenylbutan-2-amine.
What is the SMILES notation for 1-ethoxy-N,3-dimethyl-3-phenylbutan-2-amine?
The canonical SMILES for 1-ethoxy-N,3-dimethyl-3-phenylbutan-2-amine is CCOCC(NC)C(C)(C)c1ccccc1.
What is the InChIKey of 1-ethoxy-N,3-dimethyl-3-phenylbutan-2-amine?
The InChIKey is ZGBGGMNEKDIDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-16-11-13(15-4)14(2,3)12-9-7-6-8-10-12/h6-10,13,15H,5,11H2,1-4H3.
What are the key properties of 1-ethoxy-N,3-dimethyl-3-phenylbutan-2-amine?
1-ethoxy-N,3-dimethyl-3-phenylbutan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N,3-dimethyl-3-phenylbutan-2-amine is sourced from PubChem (CID 79574847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).