N-[1-(2-ethoxyphenyl)ethyl]-3,5-dimethylaniline

C18H23NO — CID 43104673

IUPACN-[1-(2-ethoxyphenyl)ethyl]-3,5-dimethylaniline
SMILESCCOc1ccccc1C(C)Nc1cc(C)cc(C)c1
InChIInChI=1S/C18H23NO/c1-5-20-18-9-7-6-8-17(18)15(4)19-16-11-13(2)10-14(3)12-16/h6-12,15,19H,5H2,1-4H3
InChIKeySLSFTBVKDZSUHA-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.88
Rot. Bonds5

About N-[1-(2-ethoxyphenyl)ethyl]-3,5-dimethylaniline

N-[1-(2-ethoxyphenyl)ethyl]-3,5-dimethylaniline (PubChem CID 43104673) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[1-(2-ethoxyphenyl)ethyl]-3,5-dimethylaniline.

Molecular Properties

Compound NameN-[1-(2-ethoxyphenyl)ethyl]-3,5-dimethylaniline
PubChem CID43104673
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[1-(2-ethoxyphenyl)ethyl]-3,5-dimethylaniline
SMILESCCOc1ccccc1C(C)Nc1cc(C)cc(C)c1
InChIInChI=1S/C18H23NO/c1-5-20-18-9-7-6-8-17(18)15(4)19-16-11-13(2)10-14(3)12-16/h6-12,15,19H,5H2,1-4H3
InChIKeySLSFTBVKDZSUHA-UHFFFAOYSA-N
XLogP4.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 43190017
N-[1-(2-ethoxyphenyl)ethyl]-4-methylsulfanylaniline
CID 43192292
4-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-methylaniline
CID 43100277
2,6-dibromo-N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 107596896
4-chloro-N-[1-(2-ethoxyphenyl)ethyl]-3-methoxyaniline
CID 107620944
N-[1-(2-ethoxyphenyl)ethyl]-5-fluoro-2-methylaniline
CID 43111678
N-[1-(2-ethoxyphenyl)ethyl]-1,3-benzodioxol-5-amine
CID 43196995
2,4,6-trichloro-N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 43126451
4-[1-(2-ethoxyphenyl)ethylamino]benzamide
CID 43193018
2-bromo-N-[1-(2-ethoxyphenyl)ethyl]-4-fluoroaniline
CID 43119365
N-[1-(2-ethoxyphenyl)ethyl]-4-nitroaniline
CID 43719782
N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline
CID 43194923

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethoxyphenyl)ethyl]-3,5-dimethylaniline?
The IUPAC name of N-[1-(2-ethoxyphenyl)ethyl]-3,5-dimethylaniline (CID 43104673) is N-[1-(2-ethoxyphenyl)ethyl]-3,5-dimethylaniline.
What is the SMILES notation for N-[1-(2-ethoxyphenyl)ethyl]-3,5-dimethylaniline?
The canonical SMILES for N-[1-(2-ethoxyphenyl)ethyl]-3,5-dimethylaniline is CCOc1ccccc1C(C)Nc1cc(C)cc(C)c1.
What is the InChIKey of N-[1-(2-ethoxyphenyl)ethyl]-3,5-dimethylaniline?
The InChIKey is SLSFTBVKDZSUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-5-20-18-9-7-6-8-17(18)15(4)19-16-11-13(2)10-14(3)12-16/h6-12,15,19H,5H2,1-4H3.
What are the key properties of N-[1-(2-ethoxyphenyl)ethyl]-3,5-dimethylaniline?
N-[1-(2-ethoxyphenyl)ethyl]-3,5-dimethylaniline has a molecular weight of 269.39 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethoxyphenyl)ethyl]-3,5-dimethylaniline is sourced from PubChem (CID 43104673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).