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

C19H26Cl2N2 — CID 3049259

IUPACN'-(4-chloro-2-methylphenyl)-N,N-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine;hydrochloride
SMILESCc1ccccc1N(CCCN(C)C)c1ccc(Cl)cc1C.Cl
InChIInChI=1S/C19H25ClN2.ClH/c1-15-8-5-6-9-18(15)22(13-7-12-21(3)4)19-11-10-17(20)14-16(19)2;/h5-6,8-11,14H,7,12-13H2,1-4H3;1H
InChIKeyKMZBVRFRJMYHEG-UHFFFAOYSA-N
MW353.34 g/mol
LogP5.47
Rot. Bonds6

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

N'-(4-chloro-2-methylphenyl)-N,N-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine;hydrochloride (PubChem CID 3049259) has the molecular formula C19H26Cl2N2 and a molecular weight of 353.34 g/mol. Its IUPAC name is N'-(4-chloro-2-methylphenyl)-N,N-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN'-(4-chloro-2-methylphenyl)-N,N-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine;hydrochloride
PubChem CID3049259
Molecular FormulaC19H26Cl2N2
Molecular Weight353.34 g/mol
Exact Mass352.15
IUPAC NameN'-(4-chloro-2-methylphenyl)-N,N-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine;hydrochloride
SMILESCc1ccccc1N(CCCN(C)C)c1ccc(Cl)cc1C.Cl
InChIInChI=1S/C19H25ClN2.ClH/c1-15-8-5-6-9-18(15)22(13-7-12-21(3)4)19-11-10-17(20)14-16(19)2;/h5-6,8-11,14H,7,12-13H2,1-4H3;1H
InChIKeyKMZBVRFRJMYHEG-UHFFFAOYSA-N
XLogP5.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.34
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-methylphenyl)-N,N-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine;hydrochloride?
The IUPAC name of N'-(4-chloro-2-methylphenyl)-N,N-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine;hydrochloride (CID 3049259) is N'-(4-chloro-2-methylphenyl)-N,N-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine;hydrochloride.
What is the SMILES notation for N'-(4-chloro-2-methylphenyl)-N,N-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine;hydrochloride?
The canonical SMILES for N'-(4-chloro-2-methylphenyl)-N,N-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine;hydrochloride is Cc1ccccc1N(CCCN(C)C)c1ccc(Cl)cc1C.Cl.
What is the InChIKey of N'-(4-chloro-2-methylphenyl)-N,N-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine;hydrochloride?
The InChIKey is KMZBVRFRJMYHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2.ClH/c1-15-8-5-6-9-18(15)22(13-7-12-21(3)4)19-11-10-17(20)14-16(19)2;/h5-6,8-11,14H,7,12-13H2,1-4H3;1H.
What are the key properties of N'-(4-chloro-2-methylphenyl)-N,N-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine;hydrochloride?
N'-(4-chloro-2-methylphenyl)-N,N-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine;hydrochloride has a molecular weight of 353.34 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-methylphenyl)-N,N-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine;hydrochloride is sourced from PubChem (CID 3049259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).