5-chloro-N-(dicyclopropylmethyl)-2,4-dimethoxyaniline

C15H20ClNO2 — CID 43362759

IUPAC5-chloro-N-(dicyclopropylmethyl)-2,4-dimethoxyaniline
SMILESCOc1cc(OC)c(NC(C2CC2)C2CC2)cc1Cl
InChIInChI=1S/C15H20ClNO2/c1-18-13-8-14(19-2)12(7-11(13)16)17-15(9-3-4-9)10-5-6-10/h7-10,15,17H,3-6H2,1-2H3
InChIKeyPDCIVASLGLQAIF-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.96
Rot. Bonds6

About 5-chloro-N-(dicyclopropylmethyl)-2,4-dimethoxyaniline

5-chloro-N-(dicyclopropylmethyl)-2,4-dimethoxyaniline (PubChem CID 43362759) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 5-chloro-N-(dicyclopropylmethyl)-2,4-dimethoxyaniline.

Molecular Properties

Compound Name5-chloro-N-(dicyclopropylmethyl)-2,4-dimethoxyaniline
PubChem CID43362759
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name5-chloro-N-(dicyclopropylmethyl)-2,4-dimethoxyaniline
SMILESCOc1cc(OC)c(NC(C2CC2)C2CC2)cc1Cl
InChIInChI=1S/C15H20ClNO2/c1-18-13-8-14(19-2)12(7-11(13)16)17-15(9-3-4-9)10-5-6-10/h7-10,15,17H,3-6H2,1-2H3
InChIKeyPDCIVASLGLQAIF-UHFFFAOYSA-N
XLogP3.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(1-cyclopropylethyl)-2-methoxy-5-methylaniline
CID 43191804
5-chloro-2,4-dimethoxy-N-methylaniline
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4-chloro-2,5-dimethoxy-N-(3-methylbutan-2-yl)aniline
CID 43192175
2-(5-chloro-2,4-dimethoxyanilino)-N-methylpropanamide
CID 43085511
5-chloro-2,4-dimethoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 43147032
1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene
CID 153108822
5-chloro-2,4-dimethoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79537185
5-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,4-dimethoxyaniline
CID 43438965
(5-chloro-2,4-dimethoxyphenyl)cyanamide
CID 62483892
3-chloro-N-(dicyclopropylmethyl)-4-propan-2-yloxyaniline
CID 43727182
4-chloro-2,5-dimethoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 43173439
1-(5-chloro-2,4-dimethoxyphenyl)-3-cyclopropylthiourea
CID 7944268

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(dicyclopropylmethyl)-2,4-dimethoxyaniline?
The IUPAC name of 5-chloro-N-(dicyclopropylmethyl)-2,4-dimethoxyaniline (CID 43362759) is 5-chloro-N-(dicyclopropylmethyl)-2,4-dimethoxyaniline.
What is the SMILES notation for 5-chloro-N-(dicyclopropylmethyl)-2,4-dimethoxyaniline?
The canonical SMILES for 5-chloro-N-(dicyclopropylmethyl)-2,4-dimethoxyaniline is COc1cc(OC)c(NC(C2CC2)C2CC2)cc1Cl.
What is the InChIKey of 5-chloro-N-(dicyclopropylmethyl)-2,4-dimethoxyaniline?
The InChIKey is PDCIVASLGLQAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-18-13-8-14(19-2)12(7-11(13)16)17-15(9-3-4-9)10-5-6-10/h7-10,15,17H,3-6H2,1-2H3.
What are the key properties of 5-chloro-N-(dicyclopropylmethyl)-2,4-dimethoxyaniline?
5-chloro-N-(dicyclopropylmethyl)-2,4-dimethoxyaniline has a molecular weight of 281.78 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(dicyclopropylmethyl)-2,4-dimethoxyaniline is sourced from PubChem (CID 43362759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).