N-[4-(aminomethyl)phenyl]-N',N'-dimethylethane-1,2-diamine

C11H19N3 — CID 22693559

IUPACN-[4-(aminomethyl)phenyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ccc(CN)cc1
InChIInChI=1S/C11H19N3/c1-14(2)8-7-13-11-5-3-10(9-12)4-6-11/h3-6,13H,7-9,12H2,1-2H3
InChIKeyCKHNOFPVRNVWQF-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.12
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-N',N'-dimethylethane-1,2-diamine

N-[4-(aminomethyl)phenyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 22693559) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID22693559
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-[4-(aminomethyl)phenyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ccc(CN)cc1
InChIInChI=1S/C11H19N3/c1-14(2)8-7-13-11-5-3-10(9-12)4-6-11/h3-6,13H,7-9,12H2,1-2H3
InChIKeyCKHNOFPVRNVWQF-UHFFFAOYSA-N
XLogP1.12
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-N',N'-diethylethane-1,2-diamine
CID 22693574
4-(aminomethyl)-N-(3-fluoro-3-methylbutyl)aniline
CID 84677883
N',N'-dimethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine
CID 98784045
N-[4-[2-(dimethylamino)ethylamino]phenyl]-2-(4-fluorophenyl)acetamide
CID 112981313
3-[4-(aminomethyl)anilino]propanenitrile
CID 57214812
N',N'-dimethyl-N-(4-phenylmethoxyphenyl)ethane-1,2-diamine
CID 82096405
5-[2-(dimethylamino)ethylamino]pyridine-2-carbothioamide
CID 115488045
4-(aminomethyl)-N-(2-methylpropyl)aniline
CID 83962134
4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 22693568
CID 20978129
CID 20978129
N-[3-(chloromethyl)phenyl]-N',N'-dimethylethane-1,2-diamine
CID 65023741
N-[4-(aminomethyl)phenyl]-3-[2-(dimethylamino)ethyl-methylamino]propanamide
CID 63694622

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N',N'-dimethylethane-1,2-diamine (CID 22693559) is N-[4-(aminomethyl)phenyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is CKHNOFPVRNVWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-14(2)8-7-13-11-5-3-10(9-12)4-6-11/h3-6,13H,7-9,12H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N',N'-dimethylethane-1,2-diamine?
N-[4-(aminomethyl)phenyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 193.29 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 22693559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).