4-N,4-N-dimethyl-1-N-[(Z)-3-phenylprop-1-enyl]benzene-1,4-diamine

C17H20N2 — CID 2473929

IUPAC4-N,4-N-dimethyl-1-N-[(Z)-3-phenylprop-1-enyl]benzene-1,4-diamine
SMILESCN(C)c1ccc(N/C=C\Cc2ccccc2)cc1
InChIInChI=1S/C17H20N2/c1-19(2)17-12-10-16(11-13-17)18-14-6-9-15-7-4-3-5-8-15/h3-8,10-14,18H,9H2,1-2H3/b14-6-
InChIKeyXTAXMOGBYJRRPO-NSIKDUERSA-N
MW252.36 g/mol
LogP3.92
Rot. Bonds5

About 4-N,4-N-dimethyl-1-N-[(Z)-3-phenylprop-1-enyl]benzene-1,4-diamine

4-N,4-N-dimethyl-1-N-[(Z)-3-phenylprop-1-enyl]benzene-1,4-diamine (PubChem CID 2473929) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-[(Z)-3-phenylprop-1-enyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-[(Z)-3-phenylprop-1-enyl]benzene-1,4-diamine
PubChem CID2473929
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name4-N,4-N-dimethyl-1-N-[(Z)-3-phenylprop-1-enyl]benzene-1,4-diamine
SMILESCN(C)c1ccc(N/C=C\Cc2ccccc2)cc1
InChIInChI=1S/C17H20N2/c1-19(2)17-12-10-16(11-13-17)18-14-6-9-15-7-4-3-5-8-15/h3-8,10-14,18H,9H2,1-2H3/b14-6-
InChIKeyXTAXMOGBYJRRPO-NSIKDUERSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-[(E)-3-phenylprop-1-enyl]aniline
CID 10728588
2-methyl-N-[(E)-3-phenylprop-1-enyl]aniline
CID 102211121
N-[4-(dimethylamino)phenyl]-2-phenylacetamide
CID 4095589
N,N-dimethyl-3-phenylprop-1-en-1-amine
CID 56975797
CID 69241188
CID 69241188
2-[4-(dimethylamino)phenyl]acetaldehyde
CID 15114335
N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenylacetamide
CID 112988673
N-[4-(dimethylamino)phenyl]-3-phenylpropanamide
CID 874810
N,N-dimethylaniline
CID 70392672
acetaldehyde;N,N-dimethylaniline
CID 158535205
3-methylsulfanylprop-2-enylbenzene
CID 70387625
N,N-dimethylaniline;phenylmethanamine
CID 159620878

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-[(Z)-3-phenylprop-1-enyl]benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-[(Z)-3-phenylprop-1-enyl]benzene-1,4-diamine (CID 2473929) is 4-N,4-N-dimethyl-1-N-[(Z)-3-phenylprop-1-enyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-[(Z)-3-phenylprop-1-enyl]benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-[(Z)-3-phenylprop-1-enyl]benzene-1,4-diamine is CN(C)c1ccc(N/C=C\Cc2ccccc2)cc1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-[(Z)-3-phenylprop-1-enyl]benzene-1,4-diamine?
The InChIKey is XTAXMOGBYJRRPO-NSIKDUERSA-N. The full InChI is InChI=1S/C17H20N2/c1-19(2)17-12-10-16(11-13-17)18-14-6-9-15-7-4-3-5-8-15/h3-8,10-14,18H,9H2,1-2H3/b14-6-.
What are the key properties of 4-N,4-N-dimethyl-1-N-[(Z)-3-phenylprop-1-enyl]benzene-1,4-diamine?
4-N,4-N-dimethyl-1-N-[(Z)-3-phenylprop-1-enyl]benzene-1,4-diamine has a molecular weight of 252.36 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-[(Z)-3-phenylprop-1-enyl]benzene-1,4-diamine is sourced from PubChem (CID 2473929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).