2-N-[2-[methyl(propan-2-yl)amino]ethyl]benzene-1,2-diamine

C12H21N3 — CID 62636793

IUPAC2-N-[2-[methyl(propan-2-yl)amino]ethyl]benzene-1,2-diamine
SMILESCC(C)N(C)CCNc1ccccc1N
InChIInChI=1S/C12H21N3/c1-10(2)15(3)9-8-14-12-7-5-4-6-11(12)13/h4-7,10,14H,8-9,13H2,1-3H3
InChIKeyDMMPYUGDBCCQDP-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.02
Rot. Bonds5

About 2-N-[2-[methyl(propan-2-yl)amino]ethyl]benzene-1,2-diamine

2-N-[2-[methyl(propan-2-yl)amino]ethyl]benzene-1,2-diamine (PubChem CID 62636793) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-N-[2-[methyl(propan-2-yl)amino]ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-[methyl(propan-2-yl)amino]ethyl]benzene-1,2-diamine
PubChem CID62636793
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-N-[2-[methyl(propan-2-yl)amino]ethyl]benzene-1,2-diamine
SMILESCC(C)N(C)CCNc1ccccc1N
InChIInChI=1S/C12H21N3/c1-10(2)15(3)9-8-14-12-7-5-4-6-11(12)13/h4-7,10,14H,8-9,13H2,1-3H3
InChIKeyDMMPYUGDBCCQDP-UHFFFAOYSA-N
XLogP2.02
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine
CID 62975524
N-[2-(difluoromethylsulfonyl)phenyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62641444
2-amino-3-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide
CID 106036483
ethane;2-N-propylbenzene-1,2-diamine
CID 91196578
6-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-2,6-diamine
CID 80646824
2-(2-aminoanilino)ethanethiol
CID 10773435
3-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-nitro-1-N-propylbenzene-1,3-diamine
CID 80802709
2-(methylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62640214
2-N-(3-methylsulfonylpropyl)benzene-1,2-diamine
CID 18334911
4-N-[2-[methyl(propan-2-yl)amino]ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747673
N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 62312600
N-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 62558241

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[methyl(propan-2-yl)amino]ethyl]benzene-1,2-diamine?
The IUPAC name of 2-N-[2-[methyl(propan-2-yl)amino]ethyl]benzene-1,2-diamine (CID 62636793) is 2-N-[2-[methyl(propan-2-yl)amino]ethyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-[2-[methyl(propan-2-yl)amino]ethyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-[2-[methyl(propan-2-yl)amino]ethyl]benzene-1,2-diamine is CC(C)N(C)CCNc1ccccc1N.
What is the InChIKey of 2-N-[2-[methyl(propan-2-yl)amino]ethyl]benzene-1,2-diamine?
The InChIKey is DMMPYUGDBCCQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(2)15(3)9-8-14-12-7-5-4-6-11(12)13/h4-7,10,14H,8-9,13H2,1-3H3.
What are the key properties of 2-N-[2-[methyl(propan-2-yl)amino]ethyl]benzene-1,2-diamine?
2-N-[2-[methyl(propan-2-yl)amino]ethyl]benzene-1,2-diamine has a molecular weight of 207.32 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[methyl(propan-2-yl)amino]ethyl]benzene-1,2-diamine is sourced from PubChem (CID 62636793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).