2,5-diethoxy-N-(3-methoxybutan-2-yl)aniline

C15H25NO3 — CID 115928387

IUPAC2,5-diethoxy-N-(3-methoxybutan-2-yl)aniline
SMILESCCOc1ccc(OCC)c(NC(C)C(C)OC)c1
InChIInChI=1S/C15H25NO3/c1-6-18-13-8-9-15(19-7-2)14(10-13)16-11(3)12(4)17-5/h8-12,16H,6-7H2,1-5H3
InChIKeyLZTJCFVYFRMTMK-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.32
Rot. Bonds8

About 2,5-diethoxy-N-(3-methoxybutan-2-yl)aniline

2,5-diethoxy-N-(3-methoxybutan-2-yl)aniline (PubChem CID 115928387) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2,5-diethoxy-N-(3-methoxybutan-2-yl)aniline.

Molecular Properties

Compound Name2,5-diethoxy-N-(3-methoxybutan-2-yl)aniline
PubChem CID115928387
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2,5-diethoxy-N-(3-methoxybutan-2-yl)aniline
SMILESCCOc1ccc(OCC)c(NC(C)C(C)OC)c1
InChIInChI=1S/C15H25NO3/c1-6-18-13-8-9-15(19-7-2)14(10-13)16-11(3)12(4)17-5/h8-12,16H,6-7H2,1-5H3
InChIKeyLZTJCFVYFRMTMK-UHFFFAOYSA-N
XLogP3.32
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-diethoxy-N-hexan-2-ylaniline
CID 43759242
3-ethoxy-N-(3-methoxybutan-2-yl)aniline
CID 115917474
N-(2,5-diethoxyphenyl)-2-methoxypropanamide
CID 47301395
(2,5-diethoxyphenyl)hydrazine
CID 119006370
3-chloro-4-ethoxy-N-(3-methoxybutan-2-yl)aniline
CID 115917788
2-(2,5-diethoxyanilino)-N-ethylpropanamide
CID 43088911
5-chloro-2-ethoxy-N-(3-methylpentan-2-yl)aniline
CID 63451120
(2S)-2-(2,5-diethoxyanilino)-N-(methylcarbamoyl)propanamide
CID 94104980
N-(2,5-diethoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 60703669
2-(2,5-diethoxyanilino)-N-prop-2-ynylpropanamide
CID 43114050
2-(2,5-diethoxyanilino)-N'-hydroxybutanimidamide
CID 77026817
1,4-diethoxy-2-propan-2-ylbenzene
CID 129196403

Frequently Asked Questions

What is the IUPAC name of 2,5-diethoxy-N-(3-methoxybutan-2-yl)aniline?
The IUPAC name of 2,5-diethoxy-N-(3-methoxybutan-2-yl)aniline (CID 115928387) is 2,5-diethoxy-N-(3-methoxybutan-2-yl)aniline.
What is the SMILES notation for 2,5-diethoxy-N-(3-methoxybutan-2-yl)aniline?
The canonical SMILES for 2,5-diethoxy-N-(3-methoxybutan-2-yl)aniline is CCOc1ccc(OCC)c(NC(C)C(C)OC)c1.
What is the InChIKey of 2,5-diethoxy-N-(3-methoxybutan-2-yl)aniline?
The InChIKey is LZTJCFVYFRMTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-6-18-13-8-9-15(19-7-2)14(10-13)16-11(3)12(4)17-5/h8-12,16H,6-7H2,1-5H3.
What are the key properties of 2,5-diethoxy-N-(3-methoxybutan-2-yl)aniline?
2,5-diethoxy-N-(3-methoxybutan-2-yl)aniline has a molecular weight of 267.37 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethoxy-N-(3-methoxybutan-2-yl)aniline is sourced from PubChem (CID 115928387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).