3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline

C14H13Cl2NO — CID 23994439

IUPAC3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C14H13Cl2NO/c1-18-14-4-2-10(3-5-14)9-17-13-7-11(15)6-12(16)8-13/h2-8,17H,9H2,1H3
InChIKeyBIRXPDHURFHIID-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.61
Rot. Bonds4

About 3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline

3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline (PubChem CID 23994439) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is 3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline
PubChem CID23994439
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C14H13Cl2NO/c1-18-14-4-2-10(3-5-14)9-17-13-7-11(15)6-12(16)8-13/h2-8,17H,9H2,1H3
InChIKeyBIRXPDHURFHIID-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-N-[[4-(2-methoxyethoxy)phenyl]methyl]aniline
CID 54796924
4-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]aniline
CID 142720853
3,4,5-trifluoro-N-[(4-methoxyphenyl)methyl]aniline
CID 62809233
3,5-dichloro-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 28548817
5-[(4-methoxyphenyl)methylamino]benzene-1,3-dicarbonitrile
CID 174921952
N-[(4-methoxyphenyl)methyl]-3,4-dimethylaniline
CID 775241
3,5-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 23766005
4-N-(3-chlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860263
1-[4-[(3,5-dichloroanilino)methyl]phenyl]ethanone
CID 139706215
3,5-dichloro-N-(pyridin-4-ylmethyl)aniline
CID 964331
2,6-dichloro-4-fluoro-N-[(4-methoxyphenyl)methyl]aniline
CID 83077206
2,6-dichloro-4-[(4-methoxyanilino)methyl]phenol
CID 126119272

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline?
The IUPAC name of 3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline (CID 23994439) is 3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline?
The canonical SMILES for 3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline is COc1ccc(CNc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline?
The InChIKey is BIRXPDHURFHIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c1-18-14-4-2-10(3-5-14)9-17-13-7-11(15)6-12(16)8-13/h2-8,17H,9H2,1H3.
What are the key properties of 3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline?
3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline has a molecular weight of 282.17 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 23994439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).