5-chloro-2-ethoxy-N-hexan-2-ylaniline

C14H22ClNO — CID 63451337

IUPAC5-chloro-2-ethoxy-N-hexan-2-ylaniline
SMILESCCCCC(C)Nc1cc(Cl)ccc1OCC
InChIInChI=1S/C14H22ClNO/c1-4-6-7-11(3)16-13-10-12(15)8-9-14(13)17-5-2/h8-11,16H,4-7H2,1-3H3
InChIKeyFPHFHVWFIVYROM-UHFFFAOYSA-N
MW255.79 g/mol
LogP4.73
Rot. Bonds7

About 5-chloro-2-ethoxy-N-hexan-2-ylaniline

5-chloro-2-ethoxy-N-hexan-2-ylaniline (PubChem CID 63451337) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 5-chloro-2-ethoxy-N-hexan-2-ylaniline.

Molecular Properties

Compound Name5-chloro-2-ethoxy-N-hexan-2-ylaniline
PubChem CID63451337
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name5-chloro-2-ethoxy-N-hexan-2-ylaniline
SMILESCCCCC(C)Nc1cc(Cl)ccc1OCC
InChIInChI=1S/C14H22ClNO/c1-4-6-7-11(3)16-13-10-12(15)8-9-14(13)17-5-2/h8-11,16H,4-7H2,1-3H3
InChIKeyFPHFHVWFIVYROM-UHFFFAOYSA-N
XLogP4.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-diethoxy-N-hexan-2-ylaniline
CID 43759242
5-chloro-2-ethoxy-N-(3-methylpentan-2-yl)aniline
CID 63451120
5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-ethoxyaniline
CID 63451342
5-chloro-2-fluoro-N-nonan-2-ylaniline
CID 43381901
5-chloro-2-ethoxy-N-(2-methylpentyl)aniline
CID 63451076
5-chloro-N-[1-(2-chlorophenyl)ethyl]-2-ethoxyaniline
CID 63451432
5-chloro-N-(dicyclopropylmethyl)-2-ethoxyaniline
CID 54865533
2-bromo-5-chloro-N-octan-2-ylaniline
CID 81270708
5-chloro-2-methoxy-N-(5-methylhexan-2-yl)aniline
CID 43100580
2,4-dichloro-N-nonan-2-ylaniline
CID 55199008
5-chloro-2-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 60935115
5-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-ethoxyaniline
CID 63451474

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethoxy-N-hexan-2-ylaniline?
The IUPAC name of 5-chloro-2-ethoxy-N-hexan-2-ylaniline (CID 63451337) is 5-chloro-2-ethoxy-N-hexan-2-ylaniline.
What is the SMILES notation for 5-chloro-2-ethoxy-N-hexan-2-ylaniline?
The canonical SMILES for 5-chloro-2-ethoxy-N-hexan-2-ylaniline is CCCCC(C)Nc1cc(Cl)ccc1OCC.
What is the InChIKey of 5-chloro-2-ethoxy-N-hexan-2-ylaniline?
The InChIKey is FPHFHVWFIVYROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-4-6-7-11(3)16-13-10-12(15)8-9-14(13)17-5-2/h8-11,16H,4-7H2,1-3H3.
What are the key properties of 5-chloro-2-ethoxy-N-hexan-2-ylaniline?
5-chloro-2-ethoxy-N-hexan-2-ylaniline has a molecular weight of 255.79 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethoxy-N-hexan-2-ylaniline is sourced from PubChem (CID 63451337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).