N-[1-(4-ethylphenyl)ethyl]-3,5-dimethoxyaniline

C18H23NO2 — CID 43106299

IUPACN-[1-(4-ethylphenyl)ethyl]-3,5-dimethoxyaniline
SMILESCCc1ccc(C(C)Nc2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C18H23NO2/c1-5-14-6-8-15(9-7-14)13(2)19-16-10-17(20-3)12-18(11-16)21-4/h6-13,19H,5H2,1-4H3
InChIKeyKVQZQNISECKSAR-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.44
Rot. Bonds6

About N-[1-(4-ethylphenyl)ethyl]-3,5-dimethoxyaniline

N-[1-(4-ethylphenyl)ethyl]-3,5-dimethoxyaniline (PubChem CID 43106299) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-3,5-dimethoxyaniline.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-3,5-dimethoxyaniline
PubChem CID43106299
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-3,5-dimethoxyaniline
SMILESCCc1ccc(C(C)Nc2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C18H23NO2/c1-5-14-6-8-15(9-7-14)13(2)19-16-10-17(20-3)12-18(11-16)21-4/h6-13,19H,5H2,1-4H3
InChIKeyKVQZQNISECKSAR-UHFFFAOYSA-N
XLogP4.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-3,5-difluoroaniline
CID 43108323
4-[1-(3,5-dimethoxyanilino)ethyl]benzonitrile
CID 43192810
3-bromo-N-[1-(4-bromophenyl)ethyl]-5-methoxyaniline
CID 82858148
N-[1-(4-ethoxyphenyl)ethyl]-4-ethylaniline
CID 43093553
N-[1-(4-ethylphenyl)ethyl]aniline
CID 43190038
1-(4-ethylphenyl)-N-methoxyethanamine
CID 82706514
N-[1-(4-ethylphenyl)ethyl]-3-fluoro-5-methylaniline
CID 79054943
3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methoxyaniline
CID 82857305
1-(4-ethylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]ethanamine
CID 81353955
N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline
CID 43104035
3-chloro-N-[1-(4-ethylphenyl)ethyl]-5-fluoroaniline
CID 107364137
3-ethyl-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43196055

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-3,5-dimethoxyaniline?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-3,5-dimethoxyaniline (CID 43106299) is N-[1-(4-ethylphenyl)ethyl]-3,5-dimethoxyaniline.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-3,5-dimethoxyaniline?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-3,5-dimethoxyaniline is CCc1ccc(C(C)Nc2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-3,5-dimethoxyaniline?
The InChIKey is KVQZQNISECKSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-5-14-6-8-15(9-7-14)13(2)19-16-10-17(20-3)12-18(11-16)21-4/h6-13,19H,5H2,1-4H3.
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-3,5-dimethoxyaniline?
N-[1-(4-ethylphenyl)ethyl]-3,5-dimethoxyaniline has a molecular weight of 285.39 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-3,5-dimethoxyaniline is sourced from PubChem (CID 43106299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).