N'-(2-chloro-4,6-dimethylphenyl)-N'-ethylpropane-1,3-diamine

C13H21ClN2 — CID 28792366

IUPACN'-(2-chloro-4,6-dimethylphenyl)-N'-ethylpropane-1,3-diamine
SMILESCCN(CCCN)c1c(C)cc(C)cc1Cl
InChIInChI=1S/C13H21ClN2/c1-4-16(7-5-6-15)13-11(3)8-10(2)9-12(13)14/h8-9H,4-7,15H2,1-3H3
InChIKeyBNNKIGKWIWHWPL-UHFFFAOYSA-N
MW240.78 g/mol
LogP3.13
Rot. Bonds5

About N'-(2-chloro-4,6-dimethylphenyl)-N'-ethylpropane-1,3-diamine

N'-(2-chloro-4,6-dimethylphenyl)-N'-ethylpropane-1,3-diamine (PubChem CID 28792366) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is N'-(2-chloro-4,6-dimethylphenyl)-N'-ethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-chloro-4,6-dimethylphenyl)-N'-ethylpropane-1,3-diamine
PubChem CID28792366
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC NameN'-(2-chloro-4,6-dimethylphenyl)-N'-ethylpropane-1,3-diamine
SMILESCCN(CCCN)c1c(C)cc(C)cc1Cl
InChIInChI=1S/C13H21ClN2/c1-4-16(7-5-6-15)13-11(3)8-10(2)9-12(13)14/h8-9H,4-7,15H2,1-3H3
InChIKeyBNNKIGKWIWHWPL-UHFFFAOYSA-N
XLogP3.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(4-chloro-2-methoxy-5-methylphenyl)-N'-ethylpropane-1,3-diamine
CID 28792490
N'-(2,6-difluorophenyl)-N'-ethylpropane-1,3-diamine
CID 28792510
3-[N-(carboxymethyl)-2-chloro-4,6-dimethylanilino]propanoic acid
CID 82316984
N'-(2,3-dimethylphenyl)-N'-ethylpropane-1,3-diamine
CID 28772955
3-(N-ethyl-2,4,6-trimethylanilino)propanoic acid
CID 82318767
N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
CID 62543775
N'-(5-bromo-4-methyl-2-pyridinyl)-N'-ethylpropane-1,3-diamine
CID 114868959
N-[4-[4-[4-[4-aminobutyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl]-N-ethyl-2,4,6-trimethylbenzenesulfonamide
CID 11115779
3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N,N-diethylpropanamide
CID 113144326
N-butyl-3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 113144330
2,4,6-trimethyl-N,N-dipropylaniline
CID 50937082
3-[2-chloro-4,6-dimethyl-N-(3-methylbutyl)anilino]propanoic acid
CID 82319096

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-4,6-dimethylphenyl)-N'-ethylpropane-1,3-diamine?
The IUPAC name of N'-(2-chloro-4,6-dimethylphenyl)-N'-ethylpropane-1,3-diamine (CID 28792366) is N'-(2-chloro-4,6-dimethylphenyl)-N'-ethylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-chloro-4,6-dimethylphenyl)-N'-ethylpropane-1,3-diamine?
The canonical SMILES for N'-(2-chloro-4,6-dimethylphenyl)-N'-ethylpropane-1,3-diamine is CCN(CCCN)c1c(C)cc(C)cc1Cl.
What is the InChIKey of N'-(2-chloro-4,6-dimethylphenyl)-N'-ethylpropane-1,3-diamine?
The InChIKey is BNNKIGKWIWHWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-4-16(7-5-6-15)13-11(3)8-10(2)9-12(13)14/h8-9H,4-7,15H2,1-3H3.
What are the key properties of N'-(2-chloro-4,6-dimethylphenyl)-N'-ethylpropane-1,3-diamine?
N'-(2-chloro-4,6-dimethylphenyl)-N'-ethylpropane-1,3-diamine has a molecular weight of 240.78 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-4,6-dimethylphenyl)-N'-ethylpropane-1,3-diamine is sourced from PubChem (CID 28792366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).