1-(5-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine

C17H20ClN — CID 82883588

IUPAC1-(5-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
SMILESCC1=C(C=C(C=C1)C(C2=C(C=CC(=C2)Cl)C)NC)C
InChIInChI=1S/C17H20ClN/c1-11-5-7-14(9-13(11)3)17(19-4)16-10-15(18)8-6-12(16)2/h5-10,17,19H,1-4H3
InChIKeyWPLCIMMIMILKEG-UHFFFAOYSA-N
MW273.80 g/mol
LogP4.70
Rot. Bonds3

About 1-(5-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine

1-(5-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine (PubChem CID 82883588) has the molecular formula C17H20ClN and a molecular weight of 273.80 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
PubChem CID82883588
Molecular FormulaC17H20ClN
Molecular Weight273.80 g/mol
Exact Mass273.13
IUPAC Name1-(5-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
SMILESCC1=C(C=C(C=C1)C(C2=C(C=CC(=C2)Cl)C)NC)C
InChIInChI=1S/C17H20ClN/c1-11-5-7-14(9-13(11)3)17(19-4)16-10-15(18)8-6-12(16)2/h5-10,17,19H,1-4H3
InChIKeyWPLCIMMIMILKEG-UHFFFAOYSA-N
XLogP4.70
TPSA12.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity280

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.80
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Sertraline
CID 68617
Sertraline Hydrochloride
CID 63009
3-Dechloro Sertraline Hydrochloride
CID 13408710
[3-(4-Chloro-phenyl)-indan-1-yl]-methyl-amine
CID 13543806
Sertraline, cis-(-)-
CID 54375
Sertraline, trans-(A+-)-
CID 9882979
Sertraline Hydrochloride, trans-(A+-)-
CID 18600608
4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine
CID 5203
Sertraline(1+)
CID 1616961
4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride
CID 13408687
Sertraline hydrochloride, cis-(-)-
CID 13408688
[4-(4-Chloro-phenyl)-1,2,3,4-tetrahydro-naphthalen-1-yl]-methyl-amine
CID 13408705

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine (CID 82883588) is 1-(5-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine is CC1=C(C=C(C=C1)C(C2=C(C=CC(=C2)Cl)C)NC)C.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine?
The InChIKey is WPLCIMMIMILKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-11-5-7-14(9-13(11)3)17(19-4)16-10-15(18)8-6-12(16)2/h5-10,17,19H,1-4H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine?
1-(5-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine has a molecular weight of 273.80 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 82883588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).