4-chloro-2,5-dimethoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline

C14H20ClNO2 — CID 43173439

IUPAC4-chloro-2,5-dimethoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline
SMILESCOc1cc(NC(C)C2(C)CC2)c(OC)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-9(14(2)5-6-14)16-11-8-12(17-3)10(15)7-13(11)18-4/h7-9,16H,5-6H2,1-4H3
InChIKeyYAAKVDVQLOUEIH-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.96
Rot. Bonds5

About 4-chloro-2,5-dimethoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline

4-chloro-2,5-dimethoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline (PubChem CID 43173439) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 4-chloro-2,5-dimethoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline.

Molecular Properties

Compound Name4-chloro-2,5-dimethoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline
PubChem CID43173439
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name4-chloro-2,5-dimethoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline
SMILESCOc1cc(NC(C)C2(C)CC2)c(OC)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-9(14(2)5-6-14)16-11-8-12(17-3)10(15)7-13(11)18-4/h7-9,16H,5-6H2,1-4H3
InChIKeyYAAKVDVQLOUEIH-UHFFFAOYSA-N
XLogP3.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2,5-dimethoxy-N-(3-methylbutan-2-yl)aniline
CID 43192175
2-methoxy-N-[1-(1-methylcyclopropyl)ethyl]-5-nitroaniline
CID 43717772
2-methoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 43173433
2-[1-(4-chloro-2,5-dimethoxyanilino)ethyl]phenol
CID 43105239
5-chloro-N-(dicyclopropylmethyl)-2,4-dimethoxyaniline
CID 43362759
4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,5-dimethoxyaniline
CID 43438946
4-chloro-N-hex-5-en-2-yl-2,5-dimethoxyaniline
CID 113429521
4-chloro-N-(1-cyclopropylethyl)-2-methoxy-5-methylaniline
CID 43191804
4-chloro-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethoxyaniline
CID 43111565
4-chloro-2,5-dimethoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43192168
N-[(2,5-dichloro-4-methoxyphenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106827158
4-chloro-2,5-dimethoxy-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447764

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline?
The IUPAC name of 4-chloro-2,5-dimethoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline (CID 43173439) is 4-chloro-2,5-dimethoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline.
What is the SMILES notation for 4-chloro-2,5-dimethoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline?
The canonical SMILES for 4-chloro-2,5-dimethoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline is COc1cc(NC(C)C2(C)CC2)c(OC)cc1Cl.
What is the InChIKey of 4-chloro-2,5-dimethoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline?
The InChIKey is YAAKVDVQLOUEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-9(14(2)5-6-14)16-11-8-12(17-3)10(15)7-13(11)18-4/h7-9,16H,5-6H2,1-4H3.
What are the key properties of 4-chloro-2,5-dimethoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline?
4-chloro-2,5-dimethoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline has a molecular weight of 269.77 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline is sourced from PubChem (CID 43173439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).