N-[(2-aminophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine

C12H21N3 — CID 106703486

IUPACN-[(2-aminophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNCc1ccccc1N
InChIInChI=1S/C12H21N3/c1-10(2)15-8-7-14-9-11-5-3-4-6-12(11)13/h3-6,10,14-15H,7-9,13H2,1-2H3
InChIKeyJPSUPJOUNKOFFI-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.36
Rot. Bonds6

About N-[(2-aminophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine

N-[(2-aminophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine (PubChem CID 106703486) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
PubChem CID106703486
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[(2-aminophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNCc1ccccc1N
InChIInChI=1S/C12H21N3/c1-10(2)15-8-7-14-9-11-5-3-4-6-12(11)13/h3-6,10,14-15H,7-9,13H2,1-2H3
InChIKeyJPSUPJOUNKOFFI-UHFFFAOYSA-N
XLogP1.36
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-methylbutylamino)methyl]aniline
CID 65439123
N-[2-[(2-aminophenyl)methylamino]ethyl]-2-methylpropanamide
CID 66387835
2-[(2,3-dimethylbutylamino)methyl]aniline
CID 64596728
3-[(2-aminophenyl)methylamino]-2-methylpropan-1-ol
CID 66419250
N-[(2-aminophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 66385429
2-[(2-aminophenyl)methylamino]propan-1-ol
CID 66386252
2-[[2-(3-methylphenyl)ethylamino]methyl]aniline
CID 66418651
2-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]aniline
CID 66418078
1-[(2-aminophenyl)methyl]-3-propan-2-ylurea
CID 4145188
2-[(2-aminophenyl)methylamino]propane-1,3-diol
CID 66417695
2-[(3-butoxypropylamino)methyl]aniline
CID 83958629
N-[(2-methyl-5-propan-2-ylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206474

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-[(2-aminophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine (CID 106703486) is N-[(2-aminophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine is CC(C)NCCNCc1ccccc1N.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is JPSUPJOUNKOFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(2)15-8-7-14-9-11-5-3-4-6-12(11)13/h3-6,10,14-15H,7-9,13H2,1-2H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine?
N-[(2-aminophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 106703486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).