1-(2,3-dichlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine

C16H17Cl2N — CID 43484734

IUPAC1-(2,3-dichlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C16H17Cl2N/c1-3-11-7-9-12(10-8-11)16(19-2)13-5-4-6-14(17)15(13)18/h4-10,16,19H,3H2,1-2H3
InChIKeyGDTYOPUIRTVVPP-UHFFFAOYSA-N
MW294.23 g/mol
LogP4.86
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine

1-(2,3-dichlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine (PubChem CID 43484734) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine
PubChem CID43484734
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name1-(2,3-dichlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C16H17Cl2N/c1-3-11-7-9-12(10-8-11)16(19-2)13-5-4-6-14(17)15(13)18/h4-10,16,19H,3H2,1-2H3
InChIKeyGDTYOPUIRTVVPP-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

1-(2,3-dichlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 115853395
1-(4-butylphenyl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 43484310
1-(2,3-dichlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 115827336
1-[2-(difluoromethoxy)phenyl]-1-(4-ethylphenyl)-N-methylmethanamine
CID 43484647
N-[bis(2,3-dichlorophenyl)methyl]ethanamine
CID 115851351
1-(2-bromophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 63417166
1-(2-chloro-4-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 43561996
1-(4-butan-2-ylphenyl)-1-(2-chloro-3-fluorophenyl)-N-methylmethanamine
CID 81454136
1-(2-chloro-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 115851434
1-(3-chloro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 107096375
1-(2,6-dichlorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018696
1,3-dichloro-2-[chloro-(4-ethylphenyl)methyl]benzene
CID 63431626

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine (CID 43484734) is 1-(2,3-dichlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine is CCc1ccc(C(NC)c2cccc(Cl)c2Cl)cc1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine?
The InChIKey is GDTYOPUIRTVVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-3-11-7-9-12(10-8-11)16(19-2)13-5-4-6-14(17)15(13)18/h4-10,16,19H,3H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine?
1-(2,3-dichlorophenyl)-1-(4-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-(2,3-dichlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 43484734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).