3-chloro-N-[(3-methoxyphenyl)methyl]-4-methylaniline

C15H16ClNO — CID 893249

IUPAC3-chloro-N-[(3-methoxyphenyl)methyl]-4-methylaniline
SMILESCOc1cccc(CNc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C15H16ClNO/c1-11-6-7-13(9-15(11)16)17-10-12-4-3-5-14(8-12)18-2/h3-9,17H,10H2,1-2H3
InChIKeyRYXAASMZRYVQEO-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.27
Rot. Bonds4

About 3-chloro-N-[(3-methoxyphenyl)methyl]-4-methylaniline

3-chloro-N-[(3-methoxyphenyl)methyl]-4-methylaniline (PubChem CID 893249) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 3-chloro-N-[(3-methoxyphenyl)methyl]-4-methylaniline.

Molecular Properties

Compound Name3-chloro-N-[(3-methoxyphenyl)methyl]-4-methylaniline
PubChem CID893249
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name3-chloro-N-[(3-methoxyphenyl)methyl]-4-methylaniline
SMILESCOc1cccc(CNc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C15H16ClNO/c1-11-6-7-13(9-15(11)16)17-10-12-4-3-5-14(8-12)18-2/h3-9,17H,10H2,1-2H3
InChIKeyRYXAASMZRYVQEO-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tecalcet
CID 158797
Tecalcet Hydrochloride
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N-(3-chloro-4-methylphenyl)-N'-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}urea
CID 22430382
N'-(3-chloro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 2201159
[2-(4-Methoxy-phenyl)-ethyl]-p-tolyl-amine
CID 686951
N-(3-Chloro-P-tolyl)-2,3-dimethoxybenzylamine
CID 293369
4-(((4-Methoxyphenyl)amino)methyl)-N,N-dimethylaniline
CID 855075
N-(4-Chlorophenyl)-3,4-dimethoxybenzylamine
CID 4367631
N-(4-Chlorophenyl)-4-methoxybenzylamine
CID 4610770
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]ethanamine
CID 10832341

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-methoxyphenyl)methyl]-4-methylaniline?
The IUPAC name of 3-chloro-N-[(3-methoxyphenyl)methyl]-4-methylaniline (CID 893249) is 3-chloro-N-[(3-methoxyphenyl)methyl]-4-methylaniline.
What is the SMILES notation for 3-chloro-N-[(3-methoxyphenyl)methyl]-4-methylaniline?
The canonical SMILES for 3-chloro-N-[(3-methoxyphenyl)methyl]-4-methylaniline is COc1cccc(CNc2ccc(C)c(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[(3-methoxyphenyl)methyl]-4-methylaniline?
The InChIKey is RYXAASMZRYVQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-11-6-7-13(9-15(11)16)17-10-12-4-3-5-14(8-12)18-2/h3-9,17H,10H2,1-2H3.
What are the key properties of 3-chloro-N-[(3-methoxyphenyl)methyl]-4-methylaniline?
3-chloro-N-[(3-methoxyphenyl)methyl]-4-methylaniline has a molecular weight of 261.75 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-methoxyphenyl)methyl]-4-methylaniline is sourced from PubChem (CID 893249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).