N'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine;hydrochloride

C18H24Cl2N2 — CID 3021694

IUPACN'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine;hydrochloride
SMILESCc1ccccc1N(CCCN(C)C)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C18H23ClN2.ClH/c1-15-7-4-5-8-18(15)21(14-6-13-20(2)3)17-11-9-16(19)10-12-17;/h4-5,7-12H,6,13-14H2,1-3H3;1H
InChIKeyLLJXKRJUSORGCN-UHFFFAOYSA-N
MW339.31 g/mol
LogP5.16
Rot. Bonds6

About N'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine;hydrochloride

N'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine;hydrochloride (PubChem CID 3021694) has the molecular formula C18H24Cl2N2 and a molecular weight of 339.31 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine;hydrochloride
PubChem CID3021694
Molecular FormulaC18H24Cl2N2
Molecular Weight339.31 g/mol
Exact Mass338.13
IUPAC NameN'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine;hydrochloride
SMILESCc1ccccc1N(CCCN(C)C)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C18H23ClN2.ClH/c1-15-7-4-5-8-18(15)21(14-6-13-20(2)3)17-11-9-16(19)10-12-17;/h4-5,7-12H,6,13-14H2,1-3H3;1H
InChIKeyLLJXKRJUSORGCN-UHFFFAOYSA-N
XLogP5.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.31
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine;hydrochloride?
The IUPAC name of N'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine;hydrochloride (CID 3021694) is N'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine;hydrochloride.
What is the SMILES notation for N'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine;hydrochloride?
The canonical SMILES for N'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine;hydrochloride is Cc1ccccc1N(CCCN(C)C)c1ccc(Cl)cc1.Cl.
What is the InChIKey of N'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine;hydrochloride?
The InChIKey is LLJXKRJUSORGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2.ClH/c1-15-7-4-5-8-18(15)21(14-6-13-20(2)3)17-11-9-16(19)10-12-17;/h4-5,7-12H,6,13-14H2,1-3H3;1H.
What are the key properties of N'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine;hydrochloride?
N'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine;hydrochloride has a molecular weight of 339.31 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine;hydrochloride is sourced from PubChem (CID 3021694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).