N,N,2-trimethyl-1-(2-methylphenyl)propane-1,3-diamine

C13H22N2 — CID 116904730

IUPACN,N,2-trimethyl-1-(2-methylphenyl)propane-1,3-diamine
SMILESCc1ccccc1C(C(C)CN)N(C)C
InChIInChI=1S/C13H22N2/c1-10-7-5-6-8-12(10)13(15(3)4)11(2)9-14/h5-8,11,13H,9,14H2,1-4H3
InChIKeyQLDBRTCDBFBTNH-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.19
Rot. Bonds4

About N,N,2-trimethyl-1-(2-methylphenyl)propane-1,3-diamine

N,N,2-trimethyl-1-(2-methylphenyl)propane-1,3-diamine (PubChem CID 116904730) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N,N,2-trimethyl-1-(2-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2-trimethyl-1-(2-methylphenyl)propane-1,3-diamine
PubChem CID116904730
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN,N,2-trimethyl-1-(2-methylphenyl)propane-1,3-diamine
SMILESCc1ccccc1C(C(C)CN)N(C)C
InChIInChI=1S/C13H22N2/c1-10-7-5-6-8-12(10)13(15(3)4)11(2)9-14/h5-8,11,13H,9,14H2,1-4H3
InChIKeyQLDBRTCDBFBTNH-UHFFFAOYSA-N
XLogP2.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,2-trimethyl-1-(2-methylphenyl)butane-1,4-diamine
CID 116905402
1-(5-tert-butyl-2-methylphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904659
1-(4-methoxy-2,5-dimethylphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904669
1-(5-chloro-2-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904651
1-N-methyl-1-(2-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine
CID 55018279
1-N-ethyl-1-(2-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 55018276
3-methyl-2-(2-methylphenyl)hexan-1-amine
CID 107886318
1-N-methyl-1-N-(3-methylbutan-2-yl)-1-(2-methylphenyl)butane-1,2-diamine
CID 55018231
1-[[2-amino-1-(2-methylphenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79385263
N'-methyl-N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine
CID 115318732
(1R)-N,N-diethyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 93489617
2-[fluoro-(2-methylphenyl)methyl]-3-methylbutan-1-amine
CID 107443570

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-1-(2-methylphenyl)propane-1,3-diamine?
The IUPAC name of N,N,2-trimethyl-1-(2-methylphenyl)propane-1,3-diamine (CID 116904730) is N,N,2-trimethyl-1-(2-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N,N,2-trimethyl-1-(2-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N,N,2-trimethyl-1-(2-methylphenyl)propane-1,3-diamine is Cc1ccccc1C(C(C)CN)N(C)C.
What is the InChIKey of N,N,2-trimethyl-1-(2-methylphenyl)propane-1,3-diamine?
The InChIKey is QLDBRTCDBFBTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10-7-5-6-8-12(10)13(15(3)4)11(2)9-14/h5-8,11,13H,9,14H2,1-4H3.
What are the key properties of N,N,2-trimethyl-1-(2-methylphenyl)propane-1,3-diamine?
N,N,2-trimethyl-1-(2-methylphenyl)propane-1,3-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-1-(2-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 116904730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).