1-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride

C16H19Cl2N — CID 172876680

IUPAC1-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride
SMILESCNCc1c(C)cc(-c2ccc(Cl)cc2)cc1C.Cl
InChIInChI=1S/C16H18ClN.ClH/c1-11-8-14(9-12(2)16(11)10-18-3)13-4-6-15(17)7-5-13;/h4-9,18H,10H2,1-3H3;1H
InChIKeyIKDLIYVNZXUGKH-UHFFFAOYSA-N
MW296.24 g/mol
LogP4.77
Rot. Bonds3

About 1-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride

1-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride (PubChem CID 172876680) has the molecular formula C16H19Cl2N and a molecular weight of 296.24 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride
PubChem CID172876680
Molecular FormulaC16H19Cl2N
Molecular Weight296.24 g/mol
Exact Mass295.09
IUPAC Name1-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride
SMILESCNCc1c(C)cc(-c2ccc(Cl)cc2)cc1C.Cl
InChIInChI=1S/C16H18ClN.ClH/c1-11-8-14(9-12(2)16(11)10-18-3)13-4-6-15(17)7-5-13;/h4-9,18H,10H2,1-3H3;1H
InChIKeyIKDLIYVNZXUGKH-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride (CID 172876680) is 1-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride is CNCc1c(C)cc(-c2ccc(Cl)cc2)cc1C.Cl.
What is the InChIKey of 1-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride?
The InChIKey is IKDLIYVNZXUGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN.ClH/c1-11-8-14(9-12(2)16(11)10-18-3)13-4-6-15(17)7-5-13;/h4-9,18H,10H2,1-3H3;1H.
What are the key properties of 1-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride?
1-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride has a molecular weight of 296.24 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 172876680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).