[2,6-dichloro-3-(2-methoxyphenyl)phenyl]methanamine

C14H13Cl2NO — CID 39233250

IUPAC[2,6-dichloro-3-(2-methoxyphenyl)phenyl]methanamine
SMILESCOc1ccccc1-c1ccc(Cl)c(CN)c1Cl
InChIInChI=1S/C14H13Cl2NO/c1-18-13-5-3-2-4-9(13)10-6-7-12(15)11(8-17)14(10)16/h2-7H,8,17H2,1H3
InChIKeyZJDPOMJNIXLDPL-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.13
Rot. Bonds3

About [2,6-dichloro-3-(2-methoxyphenyl)phenyl]methanamine

[2,6-dichloro-3-(2-methoxyphenyl)phenyl]methanamine (PubChem CID 39233250) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is [2,6-dichloro-3-(2-methoxyphenyl)phenyl]methanamine.

Molecular Properties

Compound Name[2,6-dichloro-3-(2-methoxyphenyl)phenyl]methanamine
PubChem CID39233250
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name[2,6-dichloro-3-(2-methoxyphenyl)phenyl]methanamine
SMILESCOc1ccccc1-c1ccc(Cl)c(CN)c1Cl
InChIInChI=1S/C14H13Cl2NO/c1-18-13-5-3-2-4-9(13)10-6-7-12(15)11(8-17)14(10)16/h2-7H,8,17H2,1H3
InChIKeyZJDPOMJNIXLDPL-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-[[2,6-dichloro-3-(2-methoxyphenyl)phenyl]methyl]benzoic acid
CID 158374464
[5-chloro-2-(2-methoxyphenyl)phenyl]methanamine
CID 66160291
2,3-dichloro-1-(2-methoxyphenyl)-4-methylsulfanylbenzene
CID 173185072
[2,6-dichloro-3-(2,4-difluorophenyl)phenyl]methanamine
CID 82107310
[3-fluoro-4-(2-methoxyphenyl)phenyl]methanamine
CID 81446738
(2,6-dichloro-3-ethoxyphenyl)methanamine
CID 130863445
[3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]methanamine
CID 39095734
2-chloro-3-(2-methoxyphenyl)benzaldehyde
CID 175756808
2,3-difluoro-1,4-bis(2-methoxyphenyl)benzene
CID 58004087
[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]methanamine
CID 39224806
[2-chloro-6-(2-chlorophenoxy)phenyl]methanamine
CID 28966120
2-[2-chloro-6-(2-methoxyphenoxy)phenyl]ethanamine
CID 55238568

Frequently Asked Questions

What is the IUPAC name of [2,6-dichloro-3-(2-methoxyphenyl)phenyl]methanamine?
The IUPAC name of [2,6-dichloro-3-(2-methoxyphenyl)phenyl]methanamine (CID 39233250) is [2,6-dichloro-3-(2-methoxyphenyl)phenyl]methanamine.
What is the SMILES notation for [2,6-dichloro-3-(2-methoxyphenyl)phenyl]methanamine?
The canonical SMILES for [2,6-dichloro-3-(2-methoxyphenyl)phenyl]methanamine is COc1ccccc1-c1ccc(Cl)c(CN)c1Cl.
What is the InChIKey of [2,6-dichloro-3-(2-methoxyphenyl)phenyl]methanamine?
The InChIKey is ZJDPOMJNIXLDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c1-18-13-5-3-2-4-9(13)10-6-7-12(15)11(8-17)14(10)16/h2-7H,8,17H2,1H3.
What are the key properties of [2,6-dichloro-3-(2-methoxyphenyl)phenyl]methanamine?
[2,6-dichloro-3-(2-methoxyphenyl)phenyl]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 [2,6-dichloro-3-(2-methoxyphenyl)phenyl]methanamine is sourced from PubChem (CID 39233250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).