5-chloro-N-(cyclohexylmethyl)-2-methoxyaniline

C14H20ClNO — CID 43079026

IUPAC5-chloro-N-(cyclohexylmethyl)-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1NCC1CCCCC1
InChIInChI=1S/C14H20ClNO/c1-17-14-8-7-12(15)9-13(14)16-10-11-5-3-2-4-6-11/h7-9,11,16H,2-6,10H2,1H3
InChIKeyWHMYKXMBIXZTEZ-UHFFFAOYSA-N
MW253.77 g/mol
LogP4.34
Rot. Bonds4

About 5-chloro-N-(cyclohexylmethyl)-2-methoxyaniline

5-chloro-N-(cyclohexylmethyl)-2-methoxyaniline (PubChem CID 43079026) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 5-chloro-N-(cyclohexylmethyl)-2-methoxyaniline.

Molecular Properties

Compound Name5-chloro-N-(cyclohexylmethyl)-2-methoxyaniline
PubChem CID43079026
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name5-chloro-N-(cyclohexylmethyl)-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1NCC1CCCCC1
InChIInChI=1S/C14H20ClNO/c1-17-14-8-7-12(15)9-13(14)16-10-11-5-3-2-4-6-11/h7-9,11,16H,2-6,10H2,1H3
InChIKeyWHMYKXMBIXZTEZ-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-chloro-2-(cyclohexylmethylamino)-N,N-dimethylbenzamide
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5-chloro-N-(2-fluoroethyl)-2-methoxyaniline
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclohexylmethyl)-2-methoxyaniline?
The IUPAC name of 5-chloro-N-(cyclohexylmethyl)-2-methoxyaniline (CID 43079026) is 5-chloro-N-(cyclohexylmethyl)-2-methoxyaniline.
What is the SMILES notation for 5-chloro-N-(cyclohexylmethyl)-2-methoxyaniline?
The canonical SMILES for 5-chloro-N-(cyclohexylmethyl)-2-methoxyaniline is COc1ccc(Cl)cc1NCC1CCCCC1.
What is the InChIKey of 5-chloro-N-(cyclohexylmethyl)-2-methoxyaniline?
The InChIKey is WHMYKXMBIXZTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-17-14-8-7-12(15)9-13(14)16-10-11-5-3-2-4-6-11/h7-9,11,16H,2-6,10H2,1H3.
What are the key properties of 5-chloro-N-(cyclohexylmethyl)-2-methoxyaniline?
5-chloro-N-(cyclohexylmethyl)-2-methoxyaniline has a molecular weight of 253.77 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyclohexylmethyl)-2-methoxyaniline is sourced from PubChem (CID 43079026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).