4-chloro-N-hex-5-en-2-yl-3-methoxyaniline

C13H18ClNO — CID 107270538

IUPAC4-chloro-N-hex-5-en-2-yl-3-methoxyaniline
SMILESC=CCCC(C)Nc1ccc(Cl)c(OC)c1
InChIInChI=1S/C13H18ClNO/c1-4-5-6-10(2)15-11-7-8-12(14)13(9-11)16-3/h4,7-10,15H,1,5-6H2,2-3H3
InChIKeyPIHRVQCRMUJFBC-UHFFFAOYSA-N
MW239.75 g/mol
LogP4.12
Rot. Bonds6

About 4-chloro-N-hex-5-en-2-yl-3-methoxyaniline

4-chloro-N-hex-5-en-2-yl-3-methoxyaniline (PubChem CID 107270538) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 4-chloro-N-hex-5-en-2-yl-3-methoxyaniline.

Molecular Properties

Compound Name4-chloro-N-hex-5-en-2-yl-3-methoxyaniline
PubChem CID107270538
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name4-chloro-N-hex-5-en-2-yl-3-methoxyaniline
SMILESC=CCCC(C)Nc1ccc(Cl)c(OC)c1
InChIInChI=1S/C13H18ClNO/c1-4-5-6-10(2)15-11-7-8-12(14)13(9-11)16-3/h4,7-10,15H,1,5-6H2,2-3H3
InChIKeyPIHRVQCRMUJFBC-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-hex-5-en-2-yl-4-methoxyaniline
CID 104583800
4-chloro-N-hex-5-en-2-yl-2,5-dimethoxyaniline
CID 113429521
3-chloro-N-hex-5-en-2-yl-4-propoxyaniline
CID 113437888
4-chloro-3-methoxy-N-(3-methylbutan-2-yl)aniline
CID 107270569
2-chloro-N-hex-5-en-2-ylpyridin-4-amine
CID 104655827
N-[2-chloro-4-(hex-5-en-2-ylamino)phenyl]methanesulfonamide
CID 86790165
N-hex-5-en-2-yl-4-methylaniline
CID 75525041
4-bromo-N-hex-5-en-2-yl-3-methylaniline
CID 104655310
N-hex-5-en-2-yl-1-benzothiophen-5-amine
CID 104655467
4-N-hex-5-en-2-ylbenzene-1,4-diamine
CID 70292909
2-fluoro-4-(hex-5-en-2-ylamino)phenol
CID 104655724
3-bromo-N-hex-5-en-2-yl-4-(trifluoromethoxy)aniline
CID 107335831

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-hex-5-en-2-yl-3-methoxyaniline?
The IUPAC name of 4-chloro-N-hex-5-en-2-yl-3-methoxyaniline (CID 107270538) is 4-chloro-N-hex-5-en-2-yl-3-methoxyaniline.
What is the SMILES notation for 4-chloro-N-hex-5-en-2-yl-3-methoxyaniline?
The canonical SMILES for 4-chloro-N-hex-5-en-2-yl-3-methoxyaniline is C=CCCC(C)Nc1ccc(Cl)c(OC)c1.
What is the InChIKey of 4-chloro-N-hex-5-en-2-yl-3-methoxyaniline?
The InChIKey is PIHRVQCRMUJFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-4-5-6-10(2)15-11-7-8-12(14)13(9-11)16-3/h4,7-10,15H,1,5-6H2,2-3H3.
What are the key properties of 4-chloro-N-hex-5-en-2-yl-3-methoxyaniline?
4-chloro-N-hex-5-en-2-yl-3-methoxyaniline has a molecular weight of 239.75 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-hex-5-en-2-yl-3-methoxyaniline is sourced from PubChem (CID 107270538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).