1-(2,6-dichlorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine

C16H17Cl2N — CID 105018696

IUPAC1-(2,6-dichlorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
SMILESCCc1cccc(C(NC)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H17Cl2N/c1-3-11-6-4-7-12(10-11)16(19-2)15-13(17)8-5-9-14(15)18/h4-10,16,19H,3H2,1-2H3
InChIKeyPJCBJIBJUGFUAJ-UHFFFAOYSA-N
MW294.23 g/mol
LogP4.86
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine

1-(2,6-dichlorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine (PubChem CID 105018696) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
PubChem CID105018696
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name1-(2,6-dichlorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
SMILESCCc1cccc(C(NC)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H17Cl2N/c1-3-11-6-4-7-12(10-11)16(19-2)15-13(17)8-5-9-14(15)18/h4-10,16,19H,3H2,1-2H3
InChIKeyPJCBJIBJUGFUAJ-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,6-dichlorophenyl)-(3-ethylphenyl)methyl]ethanamine
CID 105018508
1-(4-chloro-2,5-difluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018615
1-(2,6-dichlorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 43486543
N-[(2,6-dichlorophenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050234
1-(3,4-dimethylphenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018579
[(4-chlorophenyl)-(3-ethylphenyl)methyl]hydrazine
CID 105193218
1-(2,6-dichlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 115796964
1-(2,3-dimethylphenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018436
1-(2,6-dichlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105019039
1-[4-(difluoromethoxy)phenyl]-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018726
N-[(3-chloro-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine
CID 107102860
1-(5-bromothiophen-3-yl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105171222

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,6-dichlorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine (CID 105018696) is 1-(2,6-dichlorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine is CCc1cccc(C(NC)c2c(Cl)cccc2Cl)c1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine?
The InChIKey is PJCBJIBJUGFUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-3-11-6-4-7-12(10-11)16(19-2)15-13(17)8-5-9-14(15)18/h4-10,16,19H,3H2,1-2H3.
What are the key properties of 1-(2,6-dichlorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine?
1-(2,6-dichlorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine has a molecular weight of 294.23 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 105018696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).