1-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine

C16H17Cl2NO — CID 43481911

IUPAC1-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1ccc(C(NC)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H17Cl2NO/c1-3-20-13-7-4-11(5-8-13)16(19-2)12-6-9-14(17)15(18)10-12/h4-10,16,19H,3H2,1-2H3
InChIKeyMUEWXWYKUWHDIX-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.70
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine

1-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine (PubChem CID 43481911) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
PubChem CID43481911
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name1-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1ccc(C(NC)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H17Cl2NO/c1-3-20-13-7-4-11(5-8-13)16(19-2)12-6-9-14(17)15(18)10-12/h4-10,16,19H,3H2,1-2H3
InChIKeyMUEWXWYKUWHDIX-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-chlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 43481853
1-(3-chloro-4-iodophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
CID 103216066
(3,4-dichlorophenyl)-(4-ethoxyphenyl)methanol
CID 55133392
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 107993035
1-(4-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 60864424
1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 107991696
1-(3-chloro-4-pyridinyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 105140857
1-(2-bromo-4-ethoxyphenyl)-1-(3-chloro-4-iodophenyl)-N-methylmethanamine
CID 103220460
1-(4-ethoxyphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 104990532
1-(3-ethoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 60819656
1-(3,4-dichlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 43486537
1-(4-ethoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
CID 79692917

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine (CID 43481911) is 1-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine is CCOc1ccc(C(NC)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine?
The InChIKey is MUEWXWYKUWHDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-3-20-13-7-4-11(5-8-13)16(19-2)12-6-9-14(17)15(18)10-12/h4-10,16,19H,3H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine?
1-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine has a molecular weight of 310.22 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 43481911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).