4-chloro-N-hex-5-en-2-yl-2,5-dimethoxyaniline

C14H20ClNO2 — CID 113429521

IUPAC4-chloro-N-hex-5-en-2-yl-2,5-dimethoxyaniline
SMILESC=CCCC(C)Nc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C14H20ClNO2/c1-5-6-7-10(2)16-12-9-13(17-3)11(15)8-14(12)18-4/h5,8-10,16H,1,6-7H2,2-4H3
InChIKeyHNWTXBWUMNWZIV-UHFFFAOYSA-N
MW269.77 g/mol
LogP4.12
Rot. Bonds7

About 4-chloro-N-hex-5-en-2-yl-2,5-dimethoxyaniline

4-chloro-N-hex-5-en-2-yl-2,5-dimethoxyaniline (PubChem CID 113429521) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 4-chloro-N-hex-5-en-2-yl-2,5-dimethoxyaniline.

Molecular Properties

Compound Name4-chloro-N-hex-5-en-2-yl-2,5-dimethoxyaniline
PubChem CID113429521
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name4-chloro-N-hex-5-en-2-yl-2,5-dimethoxyaniline
SMILESC=CCCC(C)Nc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C14H20ClNO2/c1-5-6-7-10(2)16-12-9-13(17-3)11(15)8-14(12)18-4/h5,8-10,16H,1,6-7H2,2-4H3
InChIKeyHNWTXBWUMNWZIV-UHFFFAOYSA-N
XLogP4.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-hex-5-en-2-yl-3-methoxyaniline
CID 107270538
3-chloro-N-hex-5-en-2-yl-4-methoxyaniline
CID 104583800
4-chloro-2,5-dimethoxy-N-(3-methylbutan-2-yl)aniline
CID 43192175
5-chloro-2,4-dimethoxy-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534009
5-chloro-2,4-dimethoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 43147032
3-chloro-N-hex-5-en-2-yl-4-propoxyaniline
CID 113437888
4-chloro-2,5-dimethoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 43173439
N-(4-chloro-2,5-dimethoxyphenyl)prop-2-enamide
CID 43616303
5-chloro-2,4-dimethoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79537185
2-[1-(4-chloro-2,5-dimethoxyanilino)ethyl]phenol
CID 43105239
4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,5-dimethoxyaniline
CID 43438946
2-chloro-N-(1-ethylsulfonylpropan-2-yl)-4,5-dimethoxyaniline
CID 115923136

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-hex-5-en-2-yl-2,5-dimethoxyaniline?
The IUPAC name of 4-chloro-N-hex-5-en-2-yl-2,5-dimethoxyaniline (CID 113429521) is 4-chloro-N-hex-5-en-2-yl-2,5-dimethoxyaniline.
What is the SMILES notation for 4-chloro-N-hex-5-en-2-yl-2,5-dimethoxyaniline?
The canonical SMILES for 4-chloro-N-hex-5-en-2-yl-2,5-dimethoxyaniline is C=CCCC(C)Nc1cc(OC)c(Cl)cc1OC.
What is the InChIKey of 4-chloro-N-hex-5-en-2-yl-2,5-dimethoxyaniline?
The InChIKey is HNWTXBWUMNWZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-5-6-7-10(2)16-12-9-13(17-3)11(15)8-14(12)18-4/h5,8-10,16H,1,6-7H2,2-4H3.
What are the key properties of 4-chloro-N-hex-5-en-2-yl-2,5-dimethoxyaniline?
4-chloro-N-hex-5-en-2-yl-2,5-dimethoxyaniline has a molecular weight of 269.77 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-hex-5-en-2-yl-2,5-dimethoxyaniline is sourced from PubChem (CID 113429521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).