3-(4-ethoxyphenyl)-N,3-dimethylbutan-1-amine

C14H23NO — CID 79830478

IUPAC3-(4-ethoxyphenyl)-N,3-dimethylbutan-1-amine
SMILESCCOc1ccc(C(C)(C)CCNC)cc1
InChIInChI=1S/C14H23NO/c1-5-16-13-8-6-12(7-9-13)14(2,3)10-11-15-4/h6-9,15H,5,10-11H2,1-4H3
InChIKeyXAHPYQLIEWAFKL-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.97
Rot. Bonds6

About 3-(4-ethoxyphenyl)-N,3-dimethylbutan-1-amine

3-(4-ethoxyphenyl)-N,3-dimethylbutan-1-amine (PubChem CID 79830478) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-N,3-dimethylbutan-1-amine
PubChem CID79830478
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-(4-ethoxyphenyl)-N,3-dimethylbutan-1-amine
SMILESCCOc1ccc(C(C)(C)CCNC)cc1
InChIInChI=1S/C14H23NO/c1-5-16-13-8-6-12(7-9-13)14(2,3)10-11-15-4/h6-9,15H,5,10-11H2,1-4H3
InChIKeyXAHPYQLIEWAFKL-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-(4-ethoxyphenyl)-2-methylpropyl]-N-methylmethanediamine
CID 115227480
3-(4-cyclopropyloxyphenyl)-N,3-dimethylbutan-1-amine
CID 114520483
N-(2-chloroethyl)-2-(4-ethoxyphenyl)-2-methylpropan-1-amine
CID 115215295
2-(4-ethoxyphenyl)-1-(methylamino)propan-2-ol
CID 62772806
N,3-dimethyl-3-phenylbutan-1-amine
CID 62966813
N-(azetidin-3-ylmethyl)-2-(4-ethoxyphenyl)-2-methylpropan-1-amine
CID 115208003
1-N-[2-(4-ethoxyphenyl)-2-methylpropyl]propane-1,2-diamine
CID 115197050
3-(3,4-diethylphenyl)-N,3-dimethylbutan-1-amine
CID 113319299
2-(4-ethoxyphenyl)-3-[2-(4-ethoxyphenyl)propan-2-yloxy]butan-2-ol
CID 129179765
acetic acid;2-(4-ethoxyphenyl)-2-methylpropan-1-ol
CID 175113858
N,2,2-trimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine
CID 79626869
3-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine
CID 79830214

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 3-(4-ethoxyphenyl)-N,3-dimethylbutan-1-amine (CID 79830478) is 3-(4-ethoxyphenyl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 3-(4-ethoxyphenyl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 3-(4-ethoxyphenyl)-N,3-dimethylbutan-1-amine is CCOc1ccc(C(C)(C)CCNC)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-N,3-dimethylbutan-1-amine?
The InChIKey is XAHPYQLIEWAFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-16-13-8-6-12(7-9-13)14(2,3)10-11-15-4/h6-9,15H,5,10-11H2,1-4H3.
What are the key properties of 3-(4-ethoxyphenyl)-N,3-dimethylbutan-1-amine?
3-(4-ethoxyphenyl)-N,3-dimethylbutan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 79830478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).