5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methylaniline

C16H18ClNO2 — CID 29040909

IUPAC5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methylaniline
SMILESCOc1cc(CNc2cc(Cl)ccc2C)cc(OC)c1
InChIInChI=1S/C16H18ClNO2/c1-11-4-5-13(17)8-16(11)18-10-12-6-14(19-2)9-15(7-12)20-3/h4-9,18H,10H2,1-3H3
InChIKeyUZIPDLMPVAZTEN-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.28
Rot. Bonds5

About 5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methylaniline

5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methylaniline (PubChem CID 29040909) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methylaniline.

Molecular Properties

Compound Name5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methylaniline
PubChem CID29040909
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methylaniline
SMILESCOc1cc(CNc2cc(Cl)ccc2C)cc(OC)c1
InChIInChI=1S/C16H18ClNO2/c1-11-4-5-13(17)8-16(11)18-10-12-6-14(19-2)9-15(7-12)20-3/h4-9,18H,10H2,1-3H3
InChIKeyUZIPDLMPVAZTEN-UHFFFAOYSA-N
XLogP4.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-chloro-2-methylanilino)methyl]-2,6-dimethylphenol
CID 28932187
5-chloro-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]aniline
CID 29052780
4-[(3,5-dimethoxyphenyl)methylamino]-2,5-dimethylphenol
CID 106954005
5-chloro-2-methyl-N-[(3-methylphenyl)methyl]aniline
CID 28553559
5-chloro-N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylaniline
CID 126121919
5-chloro-N-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-methylaniline
CID 2197765
5-chloro-N-[[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126125917
5-chloro-N-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methyl]-2-methylaniline
CID 126116588
4-N-(5-chloro-2-methylphenyl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872962
N-[(3-aminophenyl)methyl]-5-chloro-2-methylaniline
CID 83960754
N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methylaniline
CID 83235718
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylaniline
CID 29273451

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methylaniline?
The IUPAC name of 5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methylaniline (CID 29040909) is 5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methylaniline.
What is the SMILES notation for 5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methylaniline?
The canonical SMILES for 5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methylaniline is COc1cc(CNc2cc(Cl)ccc2C)cc(OC)c1.
What is the InChIKey of 5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methylaniline?
The InChIKey is UZIPDLMPVAZTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-11-4-5-13(17)8-16(11)18-10-12-6-14(19-2)9-15(7-12)20-3/h4-9,18H,10H2,1-3H3.
What are the key properties of 5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methylaniline?
5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methylaniline has a molecular weight of 291.78 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methylaniline is sourced from PubChem (CID 29040909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).