4-chloro-2-methoxy-5-methyl-N-(1-pyridin-4-ylethyl)aniline

C15H17ClN2O — CID 43191802

IUPAC4-chloro-2-methoxy-5-methyl-N-(1-pyridin-4-ylethyl)aniline
SMILESCOc1cc(Cl)c(C)cc1NC(C)c1ccncc1
InChIInChI=1S/C15H17ClN2O/c1-10-8-14(15(19-3)9-13(10)16)18-11(2)12-4-6-17-7-5-12/h4-9,11,18H,1-3H3
InChIKeyJCVLQZMQNMCDJG-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.23
Rot. Bonds4

About 4-chloro-2-methoxy-5-methyl-N-(1-pyridin-4-ylethyl)aniline

4-chloro-2-methoxy-5-methyl-N-(1-pyridin-4-ylethyl)aniline (PubChem CID 43191802) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-chloro-2-methoxy-5-methyl-N-(1-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name4-chloro-2-methoxy-5-methyl-N-(1-pyridin-4-ylethyl)aniline
PubChem CID43191802
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name4-chloro-2-methoxy-5-methyl-N-(1-pyridin-4-ylethyl)aniline
SMILESCOc1cc(Cl)c(C)cc1NC(C)c1ccncc1
InChIInChI=1S/C15H17ClN2O/c1-10-8-14(15(19-3)9-13(10)16)18-11(2)12-4-6-17-7-5-12/h4-9,11,18H,1-3H3
InChIKeyJCVLQZMQNMCDJG-UHFFFAOYSA-N
XLogP4.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-4-methyl-N-(1-pyridin-4-ylethyl)aniline
CID 104726127
4-chloro-2-methoxy-5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 47155540
2-[1-(4-chloro-2-methoxy-5-methylanilino)ethyl]benzene-1,3-diol
CID 107710317
2,4,5-trichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43096623
4-chloro-N-[1-(2,4-dibromophenyl)ethyl]-2-methoxy-5-methylaniline
CID 60781299
2-[1-(4-chloro-2-methoxy-5-methylanilino)ethyl]-5-methylphenol
CID 43103443
2-(4-chloro-2-methoxy-5-methylanilino)propanenitrile
CID 60639264
4-chloro-N-(1-cyclopropylethyl)-2-methoxy-5-methylaniline
CID 43191804
5-chloro-2-methoxy-4-methyl-N-propan-2-ylaniline
CID 82492751
4-chloro-2-methoxy-5-methyl-N-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
CID 51202900
2,4-dichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43192035
4-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-3-amine
CID 83165925

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-5-methyl-N-(1-pyridin-4-ylethyl)aniline?
The IUPAC name of 4-chloro-2-methoxy-5-methyl-N-(1-pyridin-4-ylethyl)aniline (CID 43191802) is 4-chloro-2-methoxy-5-methyl-N-(1-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 4-chloro-2-methoxy-5-methyl-N-(1-pyridin-4-ylethyl)aniline?
The canonical SMILES for 4-chloro-2-methoxy-5-methyl-N-(1-pyridin-4-ylethyl)aniline is COc1cc(Cl)c(C)cc1NC(C)c1ccncc1.
What is the InChIKey of 4-chloro-2-methoxy-5-methyl-N-(1-pyridin-4-ylethyl)aniline?
The InChIKey is JCVLQZMQNMCDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-10-8-14(15(19-3)9-13(10)16)18-11(2)12-4-6-17-7-5-12/h4-9,11,18H,1-3H3.
What are the key properties of 4-chloro-2-methoxy-5-methyl-N-(1-pyridin-4-ylethyl)aniline?
4-chloro-2-methoxy-5-methyl-N-(1-pyridin-4-ylethyl)aniline has a molecular weight of 276.77 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-5-methyl-N-(1-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 43191802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).