[2-(3,4-dichlorophenyl)-4-methoxyphenyl]methanamine

C14H13Cl2NO — CID 112749101

IUPAC[2-(3,4-dichlorophenyl)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)c(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H13Cl2NO/c1-18-11-4-2-10(8-17)12(7-11)9-3-5-13(15)14(16)6-9/h2-7H,8,17H2,1H3
InChIKeyUNXFLQPAGMBJRS-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.13
Rot. Bonds3

About [2-(3,4-dichlorophenyl)-4-methoxyphenyl]methanamine

[2-(3,4-dichlorophenyl)-4-methoxyphenyl]methanamine (PubChem CID 112749101) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)-4-methoxyphenyl]methanamine
PubChem CID112749101
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name[2-(3,4-dichlorophenyl)-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)c(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H13Cl2NO/c1-18-11-4-2-10(8-17)12(7-11)9-3-5-13(15)14(16)6-9/h2-7H,8,17H2,1H3
InChIKeyUNXFLQPAGMBJRS-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
[5-(2,4-dichlorophenyl)-2,6-bis(4-methoxyphenyl)-3-pyridinyl]methanamine
CID 69347292
[2-(2,4-dimethylphenyl)-4-methoxyphenyl]methanamine
CID 141455779
3-(3,4-dichlorophenyl)-2-fluoro-5-methoxypyridine
CID 133090437
[2-(4-chloro-3-methylphenoxy)-4-methoxyphenyl]methanamine
CID 81299924
[2-(2,5-dichlorophenyl)sulfanyl-4-methoxyphenyl]methanamine
CID 81303475
CID 155696635
CID 155696635
2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride
CID 11687211
4-(2-chloro-5-methoxyphenyl)pyridine
CID 46316938
[5-chloro-2-(3-methoxyphenyl)phenyl]methanamine
CID 66160491
2-(aminomethyl)-5-methoxyphenol;ethane
CID 154662698
(2-ethyl-4-methoxyphenyl)methanamine;hydrochloride
CID 146082087

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)-4-methoxyphenyl]methanamine?
The IUPAC name of [2-(3,4-dichlorophenyl)-4-methoxyphenyl]methanamine (CID 112749101) is [2-(3,4-dichlorophenyl)-4-methoxyphenyl]methanamine.
What is the SMILES notation for [2-(3,4-dichlorophenyl)-4-methoxyphenyl]methanamine?
The canonical SMILES for [2-(3,4-dichlorophenyl)-4-methoxyphenyl]methanamine is COc1ccc(CN)c(-c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of [2-(3,4-dichlorophenyl)-4-methoxyphenyl]methanamine?
The InChIKey is UNXFLQPAGMBJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c1-18-11-4-2-10(8-17)12(7-11)9-3-5-13(15)14(16)6-9/h2-7H,8,17H2,1H3.
What are the key properties of [2-(3,4-dichlorophenyl)-4-methoxyphenyl]methanamine?
[2-(3,4-dichlorophenyl)-4-methoxyphenyl]methanamine has a molecular weight of 282.17 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)-4-methoxyphenyl]methanamine is sourced from PubChem (CID 112749101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).