N-[[2-(aminomethyl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine

C12H21N3 — CID 166473574

IUPACN-[[2-(aminomethyl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1ccccc1CN
InChIInChI=1S/C12H21N3/c1-15(2)8-7-14-10-12-6-4-3-5-11(12)9-13/h3-6,14H,7-10,13H2,1-2H3
InChIKeyCUNJXBGBHFNPIJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP0.80
Rot. Bonds6

About N-[[2-(aminomethyl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine

N-[[2-(aminomethyl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 166473574) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID166473574
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1ccccc1CN
InChIInChI=1S/C12H21N3/c1-15(2)8-7-14-10-12-6-4-3-5-11(12)9-13/h3-6,14H,7-10,13H2,1-2H3
InChIKeyCUNJXBGBHFNPIJ-UHFFFAOYSA-N
XLogP0.80
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 62392429
N'-[[2-[(2-aminoethylamino)methyl]phenyl]methyl]ethane-1,2-diamine
CID 86255808
N-[(2,3-dimethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 60657470
N-[[10-[[2-(dimethylamino)ethylamino]methyl]anthracen-9-yl]methyl]-N',N'-dimethylethane-1,2-diamine;tetrahydrochloride
CID 25195436
[2-[(dimethylamino)methyl]phenyl]methanamine
CID 4962718
N',N'-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethane-1,2-diamine
CID 43220494
N',N'-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 16775609
N-[(2-methoxy-3-methylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 97179205
[2-(aminomethyl)phenyl]methylcyanamide
CID 139669460
N-[(2-aminophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 66385429
2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]phenol
CID 62976073
4-amino-2-[[2-(dimethylamino)ethylamino]methyl]phenol
CID 153328752

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine (CID 166473574) is N-[[2-(aminomethyl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNCc1ccccc1CN.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is CUNJXBGBHFNPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-15(2)8-7-14-10-12-6-4-3-5-11(12)9-13/h3-6,14H,7-10,13H2,1-2H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
N-[[2-(aminomethyl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 207.32 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 166473574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).