5-chloro-N-heptan-4-yl-2-methoxyaniline

C14H22ClNO — CID 28510318

IUPAC5-chloro-N-heptan-4-yl-2-methoxyaniline
SMILESCCCC(CCC)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C14H22ClNO/c1-4-6-12(7-5-2)16-13-10-11(15)8-9-14(13)17-3/h8-10,12,16H,4-7H2,1-3H3
InChIKeyIHGIDMYDUUCJJQ-UHFFFAOYSA-N
MW255.79 g/mol
LogP4.73
Rot. Bonds7

About 5-chloro-N-heptan-4-yl-2-methoxyaniline

5-chloro-N-heptan-4-yl-2-methoxyaniline (PubChem CID 28510318) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 5-chloro-N-heptan-4-yl-2-methoxyaniline.

Molecular Properties

Compound Name5-chloro-N-heptan-4-yl-2-methoxyaniline
PubChem CID28510318
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name5-chloro-N-heptan-4-yl-2-methoxyaniline
SMILESCCCC(CCC)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C14H22ClNO/c1-4-6-12(7-5-2)16-13-10-11(15)8-9-14(13)17-3/h8-10,12,16H,4-7H2,1-3H3
InChIKeyIHGIDMYDUUCJJQ-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

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5-chloro-N-(2-ethylbutyl)-2-methoxyaniline
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-heptan-4-yl-2-methoxyaniline?
The IUPAC name of 5-chloro-N-heptan-4-yl-2-methoxyaniline (CID 28510318) is 5-chloro-N-heptan-4-yl-2-methoxyaniline.
What is the SMILES notation for 5-chloro-N-heptan-4-yl-2-methoxyaniline?
The canonical SMILES for 5-chloro-N-heptan-4-yl-2-methoxyaniline is CCCC(CCC)Nc1cc(Cl)ccc1OC.
What is the InChIKey of 5-chloro-N-heptan-4-yl-2-methoxyaniline?
The InChIKey is IHGIDMYDUUCJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-4-6-12(7-5-2)16-13-10-11(15)8-9-14(13)17-3/h8-10,12,16H,4-7H2,1-3H3.
What are the key properties of 5-chloro-N-heptan-4-yl-2-methoxyaniline?
5-chloro-N-heptan-4-yl-2-methoxyaniline 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-N-heptan-4-yl-2-methoxyaniline is sourced from PubChem (CID 28510318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).