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

C14H23NO — CID 43279773

IUPAC4-(4-ethoxyphenyl)-N-ethylbutan-2-amine
SMILESCCNC(C)CCc1ccc(OCC)cc1
InChIInChI=1S/C14H23NO/c1-4-15-12(3)6-7-13-8-10-14(11-9-13)16-5-2/h8-12,15H,4-7H2,1-3H3
InChIKeyVNGMROHMDJURBQ-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.02
Rot. Bonds7

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

4-(4-ethoxyphenyl)-N-ethylbutan-2-amine (PubChem CID 43279773) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-N-ethylbutan-2-amine.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-N-ethylbutan-2-amine
PubChem CID43279773
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-(4-ethoxyphenyl)-N-ethylbutan-2-amine
SMILESCCNC(C)CCc1ccc(OCC)cc1
InChIInChI=1S/C14H23NO/c1-4-15-12(3)6-7-13-8-10-14(11-9-13)16-5-2/h8-12,15H,4-7H2,1-3H3
InChIKeyVNGMROHMDJURBQ-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

(2R)-4-(4-ethoxyphenyl)-N-methylbutan-2-amine
CID 93007407
2-[4-[3-(ethylamino)butyl]phenoxy]-N-propylacetamide
CID 43279784
methyl 4-[4-[3-(ethylamino)butyl]phenoxy]butanoate
CID 60881948
4-[4-[3-(ethylamino)butyl]phenoxy]-N-methylbutanamide
CID 63892865
4-(4-tert-butylphenyl)-N-ethylbutan-2-amine
CID 60995834
4-(2-ethoxyphenyl)-N-ethylbutan-2-amine
CID 64504944
N-[(4-ethoxyphenyl)methyl]hexan-2-amine
CID 62197866
2-[4-[3-(ethylamino)butyl]phenoxy]-N,N-dimethylpropanamide
CID 43279779
4-[4-(2-fluoroethoxy)phenyl]-N-propylbutan-2-amine
CID 80699637
N-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine
CID 115494877
N-[(4-ethoxyphenyl)methyl]octan-2-amine
CID 43220759
4-[4-[2-(dimethylamino)ethoxy]phenyl]-N-propylbutan-2-amine
CID 43279821

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-N-ethylbutan-2-amine?
The IUPAC name of 4-(4-ethoxyphenyl)-N-ethylbutan-2-amine (CID 43279773) is 4-(4-ethoxyphenyl)-N-ethylbutan-2-amine.
What is the SMILES notation for 4-(4-ethoxyphenyl)-N-ethylbutan-2-amine?
The canonical SMILES for 4-(4-ethoxyphenyl)-N-ethylbutan-2-amine is CCNC(C)CCc1ccc(OCC)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-N-ethylbutan-2-amine?
The InChIKey is VNGMROHMDJURBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-15-12(3)6-7-13-8-10-14(11-9-13)16-5-2/h8-12,15H,4-7H2,1-3H3.
What are the key properties of 4-(4-ethoxyphenyl)-N-ethylbutan-2-amine?
4-(4-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-(4-ethoxyphenyl)-N-ethylbutan-2-amine is sourced from PubChem (CID 43279773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).