N-(2,3-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine

C13H22N2 — CID 54809532

IUPACN-(2,3-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCc1cccc(NCCNC(C)C)c1C
InChIInChI=1S/C13H22N2/c1-10(2)14-8-9-15-13-7-5-6-11(3)12(13)4/h5-7,10,14-15H,8-9H2,1-4H3
InChIKeyIAPVPKBQSIYHOF-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.71
Rot. Bonds5

About N-(2,3-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine

N-(2,3-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 54809532) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID54809532
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-(2,3-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCc1cccc(NCCNC(C)C)c1C
InChIInChI=1S/C13H22N2/c1-10(2)14-8-9-15-13-7-5-6-11(3)12(13)4/h5-7,10,14-15H,8-9H2,1-4H3
InChIKeyIAPVPKBQSIYHOF-UHFFFAOYSA-N
XLogP2.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-N-(3-methylbutyl)aniline
CID 29053614
N-naphthalen-1-yl-N'-propan-2-ylethane-1,2-diamine
CID 115206310
N'-(2,3-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54809939
N'-(2,3-dimethylphenyl)pentane-1,5-diamine
CID 129283902
N'-(2,3-dimethylphenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 54805514
N'-(2,3-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54809449
N-(2,3-dimethylphenyl)-N',N'-diethylethane-1,2-diamine
CID 28585667
N'-(2,3-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
CID 54805936
N'-(2,3-dimethylphenyl)-N-(2-phenylethyl)ethane-1,2-diamine
CID 54807006
2,3-dimethyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62663644
N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664297
N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dimethylaniline
CID 115525992

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(2,3-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine (CID 54809532) is N-(2,3-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(2,3-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(2,3-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine is Cc1cccc(NCCNC(C)C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is IAPVPKBQSIYHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10(2)14-8-9-15-13-7-5-6-11(3)12(13)4/h5-7,10,14-15H,8-9H2,1-4H3.
What are the key properties of N-(2,3-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine?
N-(2,3-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 54809532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).