3-ethoxy-N-(3-methoxybutan-2-yl)aniline

C13H21NO2 — CID 115917474

IUPAC3-ethoxy-N-(3-methoxybutan-2-yl)aniline
SMILESCCOc1cccc(NC(C)C(C)OC)c1
InChIInChI=1S/C13H21NO2/c1-5-16-13-8-6-7-12(9-13)14-10(2)11(3)15-4/h6-11,14H,5H2,1-4H3
InChIKeyRJOLOYGXNBBBRW-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.92
Rot. Bonds6

About 3-ethoxy-N-(3-methoxybutan-2-yl)aniline

3-ethoxy-N-(3-methoxybutan-2-yl)aniline (PubChem CID 115917474) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-ethoxy-N-(3-methoxybutan-2-yl)aniline.

Molecular Properties

Compound Name3-ethoxy-N-(3-methoxybutan-2-yl)aniline
PubChem CID115917474
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-ethoxy-N-(3-methoxybutan-2-yl)aniline
SMILESCCOc1cccc(NC(C)C(C)OC)c1
InChIInChI=1S/C13H21NO2/c1-5-16-13-8-6-7-12(9-13)14-10(2)11(3)15-4/h6-11,14H,5H2,1-4H3
InChIKeyRJOLOYGXNBBBRW-UHFFFAOYSA-N
XLogP2.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-[(2R)-pentan-2-yl]aniline
CID 93363089
2,5-diethoxy-N-(3-methoxybutan-2-yl)aniline
CID 115928387
3-iodo-N-(3-methoxybutan-2-yl)aniline
CID 115928309
3-chloro-4-ethoxy-N-(3-methoxybutan-2-yl)aniline
CID 115917788
2-[1-(3-ethoxyanilino)ethyl]phenol
CID 54865033
3-ethoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 60936370
3-methoxy-N-[(2S,3S)-3-methylpentan-2-yl]aniline
CID 28548125
N-(3-methylpentan-2-yl)-3-(2-methylpropoxy)aniline
CID 63449668
3-ethoxy-N-undecan-6-ylaniline
CID 63453491
N-[1-(2-chlorophenyl)ethyl]-3-ethoxyaniline
CID 54864881
N-(3-ethoxyphenyl)hydroxylamine
CID 13347158
3-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993267

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(3-methoxybutan-2-yl)aniline?
The IUPAC name of 3-ethoxy-N-(3-methoxybutan-2-yl)aniline (CID 115917474) is 3-ethoxy-N-(3-methoxybutan-2-yl)aniline.
What is the SMILES notation for 3-ethoxy-N-(3-methoxybutan-2-yl)aniline?
The canonical SMILES for 3-ethoxy-N-(3-methoxybutan-2-yl)aniline is CCOc1cccc(NC(C)C(C)OC)c1.
What is the InChIKey of 3-ethoxy-N-(3-methoxybutan-2-yl)aniline?
The InChIKey is RJOLOYGXNBBBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-5-16-13-8-6-7-12(9-13)14-10(2)11(3)15-4/h6-11,14H,5H2,1-4H3.
What are the key properties of 3-ethoxy-N-(3-methoxybutan-2-yl)aniline?
3-ethoxy-N-(3-methoxybutan-2-yl)aniline has a molecular weight of 223.32 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(3-methoxybutan-2-yl)aniline is sourced from PubChem (CID 115917474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).