N-[1-(4-ethylphenyl)ethyl]-2-(methoxymethyl)aniline

C18H23NO — CID 43677953

IUPACN-[1-(4-ethylphenyl)ethyl]-2-(methoxymethyl)aniline
SMILESCCc1ccc(C(C)Nc2ccccc2COC)cc1
InChIInChI=1S/C18H23NO/c1-4-15-9-11-16(12-10-15)14(2)19-18-8-6-5-7-17(18)13-20-3/h5-12,14,19H,4,13H2,1-3H3
InChIKeyACSLDTUPUPNJFB-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.57
Rot. Bonds6

About N-[1-(4-ethylphenyl)ethyl]-2-(methoxymethyl)aniline

N-[1-(4-ethylphenyl)ethyl]-2-(methoxymethyl)aniline (PubChem CID 43677953) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-2-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-2-(methoxymethyl)aniline
PubChem CID43677953
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-2-(methoxymethyl)aniline
SMILESCCc1ccc(C(C)Nc2ccccc2COC)cc1
InChIInChI=1S/C18H23NO/c1-4-15-9-11-16(12-10-15)14(2)19-18-8-6-5-7-17(18)13-20-3/h5-12,14,19H,4,13H2,1-3H3
InChIKeyACSLDTUPUPNJFB-UHFFFAOYSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-2-iodoaniline
CID 43124709
N-[1-(4-ethylphenyl)ethyl]-2-propan-2-yloxyaniline
CID 43739243
2-(methoxymethyl)-N-(1-pyridin-3-ylethyl)aniline
CID 43677982
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(methoxymethyl)aniline
CID 83069691
4-[1-[2-(ethoxymethyl)anilino]ethyl]phenol
CID 43750386
4-[1-[2-(2-methoxyethyl)anilino]ethyl]phenol
CID 102903882
5-[1-[2-(methoxymethyl)anilino]ethyl]furan-2-carboxylic acid
CID 103247181
N-[1-(4-ethylphenyl)ethyl]aniline
CID 43190038
2-[(dimethylamino)methyl]-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 43750190
2-(methoxymethyl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 115928988
N-(1-cyclopropylethyl)-2-(methoxymethyl)aniline
CID 43677996
2-(methoxymethyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106757127

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-2-(methoxymethyl)aniline?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-2-(methoxymethyl)aniline (CID 43677953) is N-[1-(4-ethylphenyl)ethyl]-2-(methoxymethyl)aniline.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-2-(methoxymethyl)aniline?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-2-(methoxymethyl)aniline is CCc1ccc(C(C)Nc2ccccc2COC)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-2-(methoxymethyl)aniline?
The InChIKey is ACSLDTUPUPNJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-15-9-11-16(12-10-15)14(2)19-18-8-6-5-7-17(18)13-20-3/h5-12,14,19H,4,13H2,1-3H3.
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-2-(methoxymethyl)aniline?
N-[1-(4-ethylphenyl)ethyl]-2-(methoxymethyl)aniline has a molecular weight of 269.39 g/mol, XLogP of 4.57, 6 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-(methoxymethyl)aniline is sourced from PubChem (CID 43677953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).