2-N-ethyl-2-N-methyl-1-N-(2-methylpropyl)benzene-1,2-diamine

C13H22N2 — CID 115877058

IUPAC2-N-ethyl-2-N-methyl-1-N-(2-methylpropyl)benzene-1,2-diamine
SMILESCCN(C)c1ccccc1NCC(C)C
InChIInChI=1S/C13H22N2/c1-5-15(4)13-9-7-6-8-12(13)14-10-11(2)3/h6-9,11,14H,5,10H2,1-4H3
InChIKeyIOQRBSWXENJLIH-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.21
Rot. Bonds5

About 2-N-ethyl-2-N-methyl-1-N-(2-methylpropyl)benzene-1,2-diamine

2-N-ethyl-2-N-methyl-1-N-(2-methylpropyl)benzene-1,2-diamine (PubChem CID 115877058) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-N-ethyl-2-N-methyl-1-N-(2-methylpropyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-methyl-1-N-(2-methylpropyl)benzene-1,2-diamine
PubChem CID115877058
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-N-ethyl-2-N-methyl-1-N-(2-methylpropyl)benzene-1,2-diamine
SMILESCCN(C)c1ccccc1NCC(C)C
InChIInChI=1S/C13H22N2/c1-5-15(4)13-9-7-6-8-12(13)14-10-11(2)3/h6-9,11,14H,5,10H2,1-4H3
InChIKeyIOQRBSWXENJLIH-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-2-N-methyl-1-N-prop-2-enylbenzene-1,2-diamine
CID 138644287
2-(diethylaminomethyl)-N-(2-methylpropyl)aniline
CID 43729309
N-(2-methylpropyl)-2-propoxyaniline
CID 43682255
N-ethyl-2-[1-(ethylamino)ethyl]-N-methylaniline
CID 43284520
N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43281572
1-[2-[ethyl(methyl)amino]phenyl]-3-(3-hydroxybutyl)urea
CID 111336974
N-[2-(2-methylpropylamino)phenyl]formamide
CID 168653320
2-ethynyl-N-(2-methylpropyl)aniline
CID 178134208
N-(2-methylpropyl)-2-methylsulfonylaniline
CID 43388031
CID 89271155
CID 89271155
1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111443346
1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxyethyl)urea
CID 111117119

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-methyl-1-N-(2-methylpropyl)benzene-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-methyl-1-N-(2-methylpropyl)benzene-1,2-diamine (CID 115877058) is 2-N-ethyl-2-N-methyl-1-N-(2-methylpropyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-methyl-1-N-(2-methylpropyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-methyl-1-N-(2-methylpropyl)benzene-1,2-diamine is CCN(C)c1ccccc1NCC(C)C.
What is the InChIKey of 2-N-ethyl-2-N-methyl-1-N-(2-methylpropyl)benzene-1,2-diamine?
The InChIKey is IOQRBSWXENJLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-5-15(4)13-9-7-6-8-12(13)14-10-11(2)3/h6-9,11,14H,5,10H2,1-4H3.
What are the key properties of 2-N-ethyl-2-N-methyl-1-N-(2-methylpropyl)benzene-1,2-diamine?
2-N-ethyl-2-N-methyl-1-N-(2-methylpropyl)benzene-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-methyl-1-N-(2-methylpropyl)benzene-1,2-diamine is sourced from PubChem (CID 115877058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).