4-(2-ethoxyphenyl)-N-ethylbutan-2-amine

C14H23NO — CID 64504944

IUPAC4-(2-ethoxyphenyl)-N-ethylbutan-2-amine
SMILESCCNC(C)CCc1ccccc1OCC
InChIInChI=1S/C14H23NO/c1-4-15-12(3)10-11-13-8-6-7-9-14(13)16-5-2/h6-9,12,15H,4-5,10-11H2,1-3H3
InChIKeyKSYISRZXRPVIGR-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.02
Rot. Bonds7

About 4-(2-ethoxyphenyl)-N-ethylbutan-2-amine

4-(2-ethoxyphenyl)-N-ethylbutan-2-amine (PubChem CID 64504944) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)-N-ethylbutan-2-amine.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)-N-ethylbutan-2-amine
PubChem CID64504944
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-(2-ethoxyphenyl)-N-ethylbutan-2-amine
SMILESCCNC(C)CCc1ccccc1OCC
InChIInChI=1S/C14H23NO/c1-4-15-12(3)10-11-13-8-6-7-9-14(13)16-5-2/h6-9,12,15H,4-5,10-11H2,1-3H3
InChIKeyKSYISRZXRPVIGR-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorobutyl)-2-ethoxybenzene
CID 64514219
N-[(2-ethoxyphenyl)methyl]pentan-2-amine
CID 43177718
4-(2-propoxyphenyl)-N-propylbutan-2-amine
CID 104662724
(2S)-N-[(2-ethoxyphenyl)methyl]butan-2-amine
CID 905439
4-(4-ethoxyphenyl)-N-ethylbutan-2-amine
CID 43279773
(2R)-2-N-[(2-ethoxyphenyl)methyl]propane-1,2-diamine
CID 104868300
1-(3-chloro-3-phenylpropyl)-2-ethoxybenzene
CID 64508912
1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene
CID 141096945
1-(2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 62802882
N-[(2-ethoxyphenyl)methyl]-3-ethylpentan-2-amine
CID 63843803
(2R)-4-phenyl-N-[(2-propoxyphenyl)methyl]butan-2-amine
CID 29221946
(1S)-N-[(2-ethoxyphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 28652621

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)-N-ethylbutan-2-amine?
The IUPAC name of 4-(2-ethoxyphenyl)-N-ethylbutan-2-amine (CID 64504944) is 4-(2-ethoxyphenyl)-N-ethylbutan-2-amine.
What is the SMILES notation for 4-(2-ethoxyphenyl)-N-ethylbutan-2-amine?
The canonical SMILES for 4-(2-ethoxyphenyl)-N-ethylbutan-2-amine is CCNC(C)CCc1ccccc1OCC.
What is the InChIKey of 4-(2-ethoxyphenyl)-N-ethylbutan-2-amine?
The InChIKey is KSYISRZXRPVIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-15-12(3)10-11-13-8-6-7-9-14(13)16-5-2/h6-9,12,15H,4-5,10-11H2,1-3H3.
What are the key properties of 4-(2-ethoxyphenyl)-N-ethylbutan-2-amine?
4-(2-ethoxyphenyl)-N-ethylbutan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenyl)-N-ethylbutan-2-amine is sourced from PubChem (CID 64504944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).