3-[amino-(5-chloro-2-methoxyphenyl)methyl]-N,N-dimethylaniline

C16H19ClN2O — CID 105140930

IUPAC3-[amino-(5-chloro-2-methoxyphenyl)methyl]-N,N-dimethylaniline
SMILESCOc1ccc(Cl)cc1C(N)c1cccc(N(C)C)c1
InChIInChI=1S/C16H19ClN2O/c1-19(2)13-6-4-5-11(9-13)16(18)14-10-12(17)7-8-15(14)20-3/h4-10,16H,18H2,1-3H3
InChIKeyDWYWVYAJZSSJMD-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.46
Rot. Bonds4

About 3-[amino-(5-chloro-2-methoxyphenyl)methyl]-N,N-dimethylaniline

3-[amino-(5-chloro-2-methoxyphenyl)methyl]-N,N-dimethylaniline (PubChem CID 105140930) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 3-[amino-(5-chloro-2-methoxyphenyl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[amino-(5-chloro-2-methoxyphenyl)methyl]-N,N-dimethylaniline
PubChem CID105140930
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name3-[amino-(5-chloro-2-methoxyphenyl)methyl]-N,N-dimethylaniline
SMILESCOc1ccc(Cl)cc1C(N)c1cccc(N(C)C)c1
InChIInChI=1S/C16H19ClN2O/c1-19(2)13-6-4-5-11(9-13)16(18)14-10-12(17)7-8-15(14)20-3/h4-10,16H,18H2,1-3H3
InChIKeyDWYWVYAJZSSJMD-UHFFFAOYSA-N
XLogP3.46
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 55116277
(3-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanamine
CID 115811290
(3-bromo-4-chlorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 115566906
(5-chloro-2-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024912
(4-bromo-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 104545787
(3-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82808205
(3-chloro-4-methoxyphenyl)-(2,5-dichlorophenyl)methanamine
CID 43131038
(2-chloro-6-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 104545797
(2,5-dichlorophenyl)-[3-(dimethylamino)phenyl]methanol
CID 105093347
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
(2,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474122
(4-chloro-2-methoxyphenyl)-(3-ethylphenyl)methanamine
CID 105018869

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(5-chloro-2-methoxyphenyl)methyl]-N,N-dimethylaniline?
The IUPAC name of 3-[amino-(5-chloro-2-methoxyphenyl)methyl]-N,N-dimethylaniline (CID 105140930) is 3-[amino-(5-chloro-2-methoxyphenyl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[amino-(5-chloro-2-methoxyphenyl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[amino-(5-chloro-2-methoxyphenyl)methyl]-N,N-dimethylaniline is COc1ccc(Cl)cc1C(N)c1cccc(N(C)C)c1.
What is the InChIKey of 3-[amino-(5-chloro-2-methoxyphenyl)methyl]-N,N-dimethylaniline?
The InChIKey is DWYWVYAJZSSJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-19(2)13-6-4-5-11(9-13)16(18)14-10-12(17)7-8-15(14)20-3/h4-10,16H,18H2,1-3H3.
What are the key properties of 3-[amino-(5-chloro-2-methoxyphenyl)methyl]-N,N-dimethylaniline?
3-[amino-(5-chloro-2-methoxyphenyl)methyl]-N,N-dimethylaniline has a molecular weight of 290.79 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(5-chloro-2-methoxyphenyl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 105140930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).