4-chloro-N-(3-ethoxycyclobutyl)-2,5-dimethoxyaniline

C14H20ClNO3 — CID 112573941

IUPAC4-chloro-N-(3-ethoxycyclobutyl)-2,5-dimethoxyaniline
SMILESCCOC1CC(Nc2cc(OC)c(Cl)cc2OC)C1
InChIInChI=1S/C14H20ClNO3/c1-4-19-10-5-9(6-10)16-12-8-13(17-2)11(15)7-14(12)18-3/h7-10,16H,4-6H2,1-3H3
InChIKeyDNSVHSGAQUFQJX-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.34
Rot. Bonds6

About 4-chloro-N-(3-ethoxycyclobutyl)-2,5-dimethoxyaniline

4-chloro-N-(3-ethoxycyclobutyl)-2,5-dimethoxyaniline (PubChem CID 112573941) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 4-chloro-N-(3-ethoxycyclobutyl)-2,5-dimethoxyaniline.

Molecular Properties

Compound Name4-chloro-N-(3-ethoxycyclobutyl)-2,5-dimethoxyaniline
PubChem CID112573941
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name4-chloro-N-(3-ethoxycyclobutyl)-2,5-dimethoxyaniline
SMILESCCOC1CC(Nc2cc(OC)c(Cl)cc2OC)C1
InChIInChI=1S/C14H20ClNO3/c1-4-19-10-5-9(6-10)16-12-8-13(17-2)11(15)7-14(12)18-3/h7-10,16H,4-6H2,1-3H3
InChIKeyDNSVHSGAQUFQJX-UHFFFAOYSA-N
XLogP3.34
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2,5-dimethoxy-N-(3-methylcyclohexyl)aniline
CID 43096450
4-chloro-2,5-dimethoxy-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447764
5-chloro-2-methoxy-N-(3-methoxycyclobutyl)aniline
CID 104870518
N-(3-ethoxycyclobutyl)-3-methoxy-2,4-dimethylaniline
CID 112561854
4-chloro-N-(4-ethylcyclohexyl)-2-methoxy-5-methylaniline
CID 29287778
4-chloro-N-cyclopentyl-2-methoxy-5-methylaniline
CID 30050493
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-ethoxycyclobutan-1-amine
CID 103917716
2-ethoxy-N-(3-ethoxycyclobutyl)-4-fluoroaniline
CID 112568490
3-chloro-N-(3-ethoxycyclobutyl)aniline
CID 112568351
2-chloro-4-N-(3-ethoxycyclobutyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 112573937
4-chloro-N-(2,4-dimethylcyclohexyl)-2,5-dimethoxyaniline
CID 64774100
N-(2-chloro-4,5-dimethoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43712464

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-ethoxycyclobutyl)-2,5-dimethoxyaniline?
The IUPAC name of 4-chloro-N-(3-ethoxycyclobutyl)-2,5-dimethoxyaniline (CID 112573941) is 4-chloro-N-(3-ethoxycyclobutyl)-2,5-dimethoxyaniline.
What is the SMILES notation for 4-chloro-N-(3-ethoxycyclobutyl)-2,5-dimethoxyaniline?
The canonical SMILES for 4-chloro-N-(3-ethoxycyclobutyl)-2,5-dimethoxyaniline is CCOC1CC(Nc2cc(OC)c(Cl)cc2OC)C1.
What is the InChIKey of 4-chloro-N-(3-ethoxycyclobutyl)-2,5-dimethoxyaniline?
The InChIKey is DNSVHSGAQUFQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-4-19-10-5-9(6-10)16-12-8-13(17-2)11(15)7-14(12)18-3/h7-10,16H,4-6H2,1-3H3.
What are the key properties of 4-chloro-N-(3-ethoxycyclobutyl)-2,5-dimethoxyaniline?
4-chloro-N-(3-ethoxycyclobutyl)-2,5-dimethoxyaniline has a molecular weight of 285.77 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-ethoxycyclobutyl)-2,5-dimethoxyaniline is sourced from PubChem (CID 112573941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).