3-chloro-N-(4-methoxyphenyl)-N,2-dimethylaniline

C15H16ClNO — CID 110455038

IUPAC3-chloro-N-(4-methoxyphenyl)-N,2-dimethylaniline
SMILESCOc1ccc(N(C)c2cccc(Cl)c2C)cc1
InChIInChI=1S/C15H16ClNO/c1-11-14(16)5-4-6-15(11)17(2)12-7-9-13(18-3)10-8-12/h4-10H,1-3H3
InChIKeyJGHWPTOHHZYARF-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.42
Rot. Bonds3

About 3-chloro-N-(4-methoxyphenyl)-N,2-dimethylaniline

3-chloro-N-(4-methoxyphenyl)-N,2-dimethylaniline (PubChem CID 110455038) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 3-chloro-N-(4-methoxyphenyl)-N,2-dimethylaniline.

Molecular Properties

Compound Name3-chloro-N-(4-methoxyphenyl)-N,2-dimethylaniline
PubChem CID110455038
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name3-chloro-N-(4-methoxyphenyl)-N,2-dimethylaniline
SMILESCOc1ccc(N(C)c2cccc(Cl)c2C)cc1
InChIInChI=1S/C15H16ClNO/c1-11-14(16)5-4-6-15(11)17(2)12-7-9-13(18-3)10-8-12/h4-10H,1-3H3
InChIKeyJGHWPTOHHZYARF-UHFFFAOYSA-N
XLogP4.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(3-methoxyphenyl)methyl]-4-methylaniline
CID 893249
N'-(4-chlorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 155512540
N'-(4-chlorophenyl)-N'-[(4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 155552013
Cambridge id 5259281
CID 667663
1-(2-Chlorobenzyl)-4-(2-methoxyphenyl)piperazine
CID 765038
3-chloro-4-fluoro-N-[(3-methoxyphenyl)methyl]aniline
CID 783985
2-(3-Chloro-4-methoxyphenyl)-1,3-dihydroisoindole
CID 894282
1-[1-(2-Chloro-4-fluorobenzyl)-3-piperidinyl]-4-(4-methoxyphenyl)piperazine
CID 23723474
5-chloro-2-(methoxymethyl)-N-(4-methoxyphenyl)-N-methylaniline
CID 72374823
N-(4-chlorobenzyl)-4-methoxyaniline
CID 961574
3-Chloro-n-(4-methoxyphenyl)aniline
CID 227661
Benzyl-(4-methoxyphenyl)-dimethylazanium bromide
CID 44301457

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-methoxyphenyl)-N,2-dimethylaniline?
The IUPAC name of 3-chloro-N-(4-methoxyphenyl)-N,2-dimethylaniline (CID 110455038) is 3-chloro-N-(4-methoxyphenyl)-N,2-dimethylaniline.
What is the SMILES notation for 3-chloro-N-(4-methoxyphenyl)-N,2-dimethylaniline?
The canonical SMILES for 3-chloro-N-(4-methoxyphenyl)-N,2-dimethylaniline is COc1ccc(N(C)c2cccc(Cl)c2C)cc1.
What is the InChIKey of 3-chloro-N-(4-methoxyphenyl)-N,2-dimethylaniline?
The InChIKey is JGHWPTOHHZYARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-11-14(16)5-4-6-15(11)17(2)12-7-9-13(18-3)10-8-12/h4-10H,1-3H3.
What are the key properties of 3-chloro-N-(4-methoxyphenyl)-N,2-dimethylaniline?
3-chloro-N-(4-methoxyphenyl)-N,2-dimethylaniline has a molecular weight of 261.75 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-methoxyphenyl)-N,2-dimethylaniline is sourced from PubChem (CID 110455038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).