N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-methylaniline

C18H23NO — CID 43110887

IUPACN-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-methylaniline
SMILESCCc1ccc(C(C)Nc2cc(C)ccc2OC)cc1
InChIInChI=1S/C18H23NO/c1-5-15-7-9-16(10-8-15)14(3)19-17-12-13(2)6-11-18(17)20-4/h6-12,14,19H,5H2,1-4H3
InChIKeyQKKHGSLZJGZLDM-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.74
Rot. Bonds5

About N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-methylaniline

N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-methylaniline (PubChem CID 43110887) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-methylaniline.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-methylaniline
PubChem CID43110887
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-methylaniline
SMILESCCc1ccc(C(C)Nc2cc(C)ccc2OC)cc1
InChIInChI=1S/C18H23NO/c1-5-15-7-9-16(10-8-15)14(3)19-17-12-13(2)6-11-18(17)20-4/h6-12,14,19H,5H2,1-4H3
InChIKeyQKKHGSLZJGZLDM-UHFFFAOYSA-N
XLogP4.74
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 ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-4-[1-(2-methoxy-5-methylanilino)ethyl]phenol
CID 43193429
4-ethyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43764329
N-[1-(4-ethylphenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108796001
4,5-dimethoxy-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43716780
N-heptan-4-yl-2-methoxy-5-methylaniline
CID 29294066
N-hexan-2-yl-2-methoxy-5-methylaniline
CID 43761107
N-[1-(4-ethylphenyl)ethyl]-3,5-dimethoxyaniline
CID 43106299
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methoxy-5-methylaniline
CID 43761125
N-[1-(4-chlorophenyl)butyl]-2-methoxy-5-methylaniline
CID 43107521
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-fluoro-5-methylaniline
CID 43772760
N-[1-(4-ethylphenyl)ethyl]-2-propan-2-yloxyaniline
CID 43739243
3-bromo-5-chloro-N-[1-(4-ethylphenyl)ethyl]-2-methoxyaniline
CID 43689329

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-methylaniline?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-methylaniline (CID 43110887) is N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-methylaniline.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-methylaniline?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-methylaniline is CCc1ccc(C(C)Nc2cc(C)ccc2OC)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-methylaniline?
The InChIKey is QKKHGSLZJGZLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-5-15-7-9-16(10-8-15)14(3)19-17-12-13(2)6-11-18(17)20-4/h6-12,14,19H,5H2,1-4H3.
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-methylaniline?
N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-methylaniline has a molecular weight of 269.39 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-methylaniline is sourced from PubChem (CID 43110887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).