N'-(4-ethenylphenyl)-N-ethyl-N'-methylethane-1,2-diamine

C13H20N2 — CID 145320752

IUPACN'-(4-ethenylphenyl)-N-ethyl-N'-methylethane-1,2-diamine
SMILESC=Cc1ccc(N(C)CCNCC)cc1
InChIInChI=1S/C13H20N2/c1-4-12-6-8-13(9-7-12)15(3)11-10-14-5-2/h4,6-9,14H,1,5,10-11H2,2-3H3
InChIKeyYVRDYDMVZALAKE-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.38
Rot. Bonds6

About N'-(4-ethenylphenyl)-N-ethyl-N'-methylethane-1,2-diamine

N'-(4-ethenylphenyl)-N-ethyl-N'-methylethane-1,2-diamine (PubChem CID 145320752) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N'-(4-ethenylphenyl)-N-ethyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-ethenylphenyl)-N-ethyl-N'-methylethane-1,2-diamine
PubChem CID145320752
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN'-(4-ethenylphenyl)-N-ethyl-N'-methylethane-1,2-diamine
SMILESC=Cc1ccc(N(C)CCNCC)cc1
InChIInChI=1S/C13H20N2/c1-4-12-6-8-13(9-7-12)15(3)11-10-14-5-2/h4,6-9,14H,1,5,10-11H2,2-3H3
InChIKeyYVRDYDMVZALAKE-UHFFFAOYSA-N
XLogP2.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(4-bromophenyl)-N-ethyl-N'-methylethane-1,2-diamine
CID 115205674
2-(4-ethenylphenyl)-N-ethylethanamine
CID 20507043
N-ethyl-N'-methyl-N'-[4-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine
CID 62586005
N-ethyl-N'-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 115205672
N-ethyl-N'-(4-ethylphenyl)-N'-methylpentane-1,5-diamine
CID 62434760
N'-(4-ethylphenyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62003417
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-ethyl-N'-methylethane-1,2-diamine
CID 115205692
4-ethenyl-N,N-diethylaniline;hydrochloride
CID 67541310
N-[2-(4-ethenylphenyl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 139721911
4-ethenyl-N-ethyl-N-propylaniline
CID 89377389
4-(dibutylamino)benzaldehyde;N,N-dibutyl-4-ethenylaniline
CID 158914965
4-[methyl(pentyl)amino]benzaldehyde
CID 43295080

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethenylphenyl)-N-ethyl-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(4-ethenylphenyl)-N-ethyl-N'-methylethane-1,2-diamine (CID 145320752) is N'-(4-ethenylphenyl)-N-ethyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(4-ethenylphenyl)-N-ethyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(4-ethenylphenyl)-N-ethyl-N'-methylethane-1,2-diamine is C=Cc1ccc(N(C)CCNCC)cc1.
What is the InChIKey of N'-(4-ethenylphenyl)-N-ethyl-N'-methylethane-1,2-diamine?
The InChIKey is YVRDYDMVZALAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-4-12-6-8-13(9-7-12)15(3)11-10-14-5-2/h4,6-9,14H,1,5,10-11H2,2-3H3.
What are the key properties of N'-(4-ethenylphenyl)-N-ethyl-N'-methylethane-1,2-diamine?
N'-(4-ethenylphenyl)-N-ethyl-N'-methylethane-1,2-diamine has a molecular weight of 204.32 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethenylphenyl)-N-ethyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 145320752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).