3-(4-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine

C14H23NO — CID 64666892

IUPAC3-(4-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)Cc1ccc(OCC)cc1
InChIInChI=1S/C14H23NO/c1-4-15-11-12(3)10-13-6-8-14(9-7-13)16-5-2/h6-9,12,15H,4-5,10-11H2,1-3H3
InChIKeyAOULQISRXSZTOS-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.87
Rot. Bonds7

About 3-(4-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine

3-(4-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine (PubChem CID 64666892) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
PubChem CID64666892
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-(4-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)Cc1ccc(OCC)cc1
InChIInChI=1S/C14H23NO/c1-4-15-11-12(3)10-13-6-8-14(9-7-13)16-5-2/h6-9,12,15H,4-5,10-11H2,1-3H3
InChIKeyAOULQISRXSZTOS-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 64664768
1-(3-bromo-2-methylpropyl)-4-ethoxybenzene
CID 64671005
N-ethyl-2-methyl-3-(4-propylphenoxy)propan-1-amine
CID 62549610
ethane;N-ethyl-2-methyl-3-phenylpropan-1-amine
CID 91246337
4-(4-ethoxyphenyl)-3-methylbutan-1-ol
CID 112507798
1-(2-bromopropyl)-4-ethoxybenzene
CID 82254885
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
2-[4-[3-(ethylamino)-2-methylpropoxy]phenyl]ethanol
CID 107709363
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291298
4-(4-ethoxyphenyl)-3-methylbutanethioamide
CID 83932215
2-methyl-3-(4-propan-2-yloxyphenyl)-N-propylpropan-1-amine
CID 64664347
4-(4-ethoxyphenyl)-N-ethylbutan-2-amine
CID 43279773

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 3-(4-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine (CID 64666892) is 3-(4-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 3-(4-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 3-(4-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine is CCNCC(C)Cc1ccc(OCC)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine?
The InChIKey is AOULQISRXSZTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-15-11-12(3)10-13-6-8-14(9-7-13)16-5-2/h6-9,12,15H,4-5,10-11H2,1-3H3.
What are the key properties of 3-(4-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine?
3-(4-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 64666892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).