1-N-[(4-ethylphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine

C17H22N2 — CID 927227

IUPAC1-N-[(4-ethylphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCCc1ccc(CNc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C17H22N2/c1-4-14-5-7-15(8-6-14)13-18-16-9-11-17(12-10-16)19(2)3/h5-12,18H,4,13H2,1-3H3
InChIKeyVDPVFKZSAZQHDI-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.93
Rot. Bonds5

About 1-N-[(4-ethylphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine

1-N-[(4-ethylphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 927227) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-N-[(4-ethylphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[(4-ethylphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID927227
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-N-[(4-ethylphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCCc1ccc(CNc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C17H22N2/c1-4-14-5-7-15(8-6-14)13-18-16-9-11-17(12-10-16)19(2)3/h5-12,18H,4,13H2,1-3H3
InChIKeyVDPVFKZSAZQHDI-UHFFFAOYSA-N
XLogP3.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.93
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

4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline
CID 855075
2-[4-[[4-(dimethylamino)phenyl]methylamino]phenyl]acetamide
CID 43724056
4-[[4-(dimethylamino)anilino]methyl]-N-methylbenzamide
CID 60985488
1-N-[[4-(dimethylamino)phenyl]methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 82538778
4-N,4-N-dimethyl-1-N-[(3,4,5-trifluorophenyl)methyl]benzene-1,4-diamine
CID 63050848
1-N-[(4-bromo-3-methylphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 66472389
1-N-[(3,4-dimethoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 964328
4-[bis[4-(dimethylamino)phenyl]methyl]-N-[(4-ethenylphenyl)methyl]aniline
CID 144813865
4-[[4-(dimethylamino)anilino]methyl]-2,6-difluorophenol
CID 79891482
1-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 39423555
N,4-diethylaniline
CID 6429431
N-[[4-(dimethylamino)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 43823690

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-ethylphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-[(4-ethylphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 927227) is 1-N-[(4-ethylphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[(4-ethylphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[(4-ethylphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine is CCc1ccc(CNc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 1-N-[(4-ethylphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is VDPVFKZSAZQHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-4-14-5-7-15(8-6-14)13-18-16-9-11-17(12-10-16)19(2)3/h5-12,18H,4,13H2,1-3H3.
What are the key properties of 1-N-[(4-ethylphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-[(4-ethylphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 254.38 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-ethylphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 927227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).