5-chloro-N-hexan-3-yl-2-propoxyaniline

C15H24ClNO — CID 114079555

IUPAC5-chloro-N-hexan-3-yl-2-propoxyaniline
SMILESCCCOc1ccc(Cl)cc1NC(CC)CCC
InChIInChI=1S/C15H24ClNO/c1-4-7-13(6-3)17-14-11-12(16)8-9-15(14)18-10-5-2/h8-9,11,13,17H,4-7,10H2,1-3H3
InChIKeyRSXFCKPQWKKVOR-UHFFFAOYSA-N
MW269.82 g/mol
LogP5.12
Rot. Bonds8

About 5-chloro-N-hexan-3-yl-2-propoxyaniline

5-chloro-N-hexan-3-yl-2-propoxyaniline (PubChem CID 114079555) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 5-chloro-N-hexan-3-yl-2-propoxyaniline.

Molecular Properties

Compound Name5-chloro-N-hexan-3-yl-2-propoxyaniline
PubChem CID114079555
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name5-chloro-N-hexan-3-yl-2-propoxyaniline
SMILESCCCOc1ccc(Cl)cc1NC(CC)CCC
InChIInChI=1S/C15H24ClNO/c1-4-7-13(6-3)17-14-11-12(16)8-9-15(14)18-10-5-2/h8-9,11,13,17H,4-7,10H2,1-3H3
InChIKeyRSXFCKPQWKKVOR-UHFFFAOYSA-N
XLogP5.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.82
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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5-chloro-N-[1-(3-fluorophenyl)ethyl]-2-propoxyaniline
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5-chloro-2-ethoxy-N-(3-methylpentan-2-yl)aniline
CID 63451120
2-bromo-5-chloro-N-heptan-4-ylaniline
CID 81264426
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-propoxyaniline
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5-chloro-2-ethoxy-N-hexan-2-ylaniline
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-hexan-3-yl-2-propoxyaniline?
The IUPAC name of 5-chloro-N-hexan-3-yl-2-propoxyaniline (CID 114079555) is 5-chloro-N-hexan-3-yl-2-propoxyaniline.
What is the SMILES notation for 5-chloro-N-hexan-3-yl-2-propoxyaniline?
The canonical SMILES for 5-chloro-N-hexan-3-yl-2-propoxyaniline is CCCOc1ccc(Cl)cc1NC(CC)CCC.
What is the InChIKey of 5-chloro-N-hexan-3-yl-2-propoxyaniline?
The InChIKey is RSXFCKPQWKKVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-4-7-13(6-3)17-14-11-12(16)8-9-15(14)18-10-5-2/h8-9,11,13,17H,4-7,10H2,1-3H3.
What are the key properties of 5-chloro-N-hexan-3-yl-2-propoxyaniline?
5-chloro-N-hexan-3-yl-2-propoxyaniline has a molecular weight of 269.82 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-hexan-3-yl-2-propoxyaniline is sourced from PubChem (CID 114079555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).