N'-methyl-N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine

C13H22N2 — CID 115318732

IUPACN'-methyl-N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine
SMILESCc1ccccc1C(C)N(C)CCCN
InChIInChI=1S/C13H22N2/c1-11-7-4-5-8-13(11)12(2)15(3)10-6-9-14/h4-5,7-8,12H,6,9-10,14H2,1-3H3
InChIKeyNZNULDLGGCYEIW-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.34
Rot. Bonds5

About N'-methyl-N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine

N'-methyl-N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine (PubChem CID 115318732) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N'-methyl-N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine
PubChem CID115318732
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN'-methyl-N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine
SMILESCc1ccccc1C(C)N(C)CCCN
InChIInChI=1S/C13H22N2/c1-11-7-4-5-8-13(11)12(2)15(3)10-6-9-14/h4-5,7-8,12H,6,9-10,14H2,1-3H3
InChIKeyNZNULDLGGCYEIW-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-methyl-N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine
CID 62985248
N'-methyl-N'-(1-phenylethyl)butane-1,4-diamine
CID 112509797
N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62980472
N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 62979148
N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine
CID 60889520
N'-methyl-N'-(2-propan-2-ylphenyl)propane-1,3-diamine
CID 28772740
2-[1-[3-aminopropyl(methyl)amino]ethyl]-4-methoxyphenol
CID 115318691
N,N,2-trimethyl-1-(2-methylphenyl)butane-1,4-diamine
CID 116905402
2-[3-[1-(2-fluorophenyl)ethyl-methylamino]propyl]aniline
CID 107274465
N'-[1-(2-chlorophenyl)ethyl]-N',2,2-trimethylhexane-1,6-diamine
CID 106708082
N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylpentane-1,5-diamine
CID 113440610
N'-methyl-N'-[1-(2-nitrophenyl)ethyl]ethane-1,2-diamine
CID 62682589

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine (CID 115318732) is N'-methyl-N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine is Cc1ccccc1C(C)N(C)CCCN.
What is the InChIKey of N'-methyl-N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine?
The InChIKey is NZNULDLGGCYEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-11-7-4-5-8-13(11)12(2)15(3)10-6-9-14/h4-5,7-8,12H,6,9-10,14H2,1-3H3.
What are the key properties of N'-methyl-N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine?
N'-methyl-N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 115318732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).