4-chloro-N-(1-cyclopropylethyl)-2-methoxy-5-methylaniline

C13H18ClNO — CID 43191804

IUPAC4-chloro-N-(1-cyclopropylethyl)-2-methoxy-5-methylaniline
SMILESCOc1cc(Cl)c(C)cc1NC(C)C1CC1
InChIInChI=1S/C13H18ClNO/c1-8-6-12(13(16-3)7-11(8)14)15-9(2)10-4-5-10/h6-7,9-10,15H,4-5H2,1-3H3
InChIKeyDRPDJURFFNOZQV-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.87
Rot. Bonds4

About 4-chloro-N-(1-cyclopropylethyl)-2-methoxy-5-methylaniline

4-chloro-N-(1-cyclopropylethyl)-2-methoxy-5-methylaniline (PubChem CID 43191804) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 4-chloro-N-(1-cyclopropylethyl)-2-methoxy-5-methylaniline.

Molecular Properties

Compound Name4-chloro-N-(1-cyclopropylethyl)-2-methoxy-5-methylaniline
PubChem CID43191804
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name4-chloro-N-(1-cyclopropylethyl)-2-methoxy-5-methylaniline
SMILESCOc1cc(Cl)c(C)cc1NC(C)C1CC1
InChIInChI=1S/C13H18ClNO/c1-8-6-12(13(16-3)7-11(8)14)15-9(2)10-4-5-10/h6-7,9-10,15H,4-5H2,1-3H3
InChIKeyDRPDJURFFNOZQV-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 110428070
2-(4-chloro-2-methoxy-5-methylanilino)propanenitrile
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5-chloro-2-methoxy-4-methyl-N-propan-2-ylaniline
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5-chloro-N-(dicyclopropylmethyl)-2,4-dimethoxyaniline
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CID 107710317
4-chloro-2-methoxy-5-methyl-N-(1-pyridin-4-ylethyl)aniline
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4-chloro-2-methoxy-5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
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5-chloro-2-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 43307747
4,5-dimethoxy-2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
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4-chloro-2,5-dimethoxy-N-(3-methylbutan-2-yl)aniline
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CID 60781299

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-cyclopropylethyl)-2-methoxy-5-methylaniline?
The IUPAC name of 4-chloro-N-(1-cyclopropylethyl)-2-methoxy-5-methylaniline (CID 43191804) is 4-chloro-N-(1-cyclopropylethyl)-2-methoxy-5-methylaniline.
What is the SMILES notation for 4-chloro-N-(1-cyclopropylethyl)-2-methoxy-5-methylaniline?
The canonical SMILES for 4-chloro-N-(1-cyclopropylethyl)-2-methoxy-5-methylaniline is COc1cc(Cl)c(C)cc1NC(C)C1CC1.
What is the InChIKey of 4-chloro-N-(1-cyclopropylethyl)-2-methoxy-5-methylaniline?
The InChIKey is DRPDJURFFNOZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-8-6-12(13(16-3)7-11(8)14)15-9(2)10-4-5-10/h6-7,9-10,15H,4-5H2,1-3H3.
What are the key properties of 4-chloro-N-(1-cyclopropylethyl)-2-methoxy-5-methylaniline?
4-chloro-N-(1-cyclopropylethyl)-2-methoxy-5-methylaniline has a molecular weight of 239.75 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-cyclopropylethyl)-2-methoxy-5-methylaniline is sourced from PubChem (CID 43191804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).