1-N-[(2,6-dichlorophenyl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine

C16H18Cl2N2 — CID 43676987

IUPAC1-N-[(2,6-dichlorophenyl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
SMILESCc1cc(N(C)C)ccc1NCc1c(Cl)cccc1Cl
InChIInChI=1S/C16H18Cl2N2/c1-11-9-12(20(2)3)7-8-16(11)19-10-13-14(17)5-4-6-15(13)18/h4-9,19H,10H2,1-3H3
InChIKeyUYNHIKNPQXBVLY-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.98
Rot. Bonds4

About 1-N-[(2,6-dichlorophenyl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine

1-N-[(2,6-dichlorophenyl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine (PubChem CID 43676987) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 1-N-[(2,6-dichlorophenyl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[(2,6-dichlorophenyl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
PubChem CID43676987
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC Name1-N-[(2,6-dichlorophenyl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
SMILESCc1cc(N(C)C)ccc1NCc1c(Cl)cccc1Cl
InChIInChI=1S/C16H18Cl2N2/c1-11-9-12(20(2)3)7-8-16(11)19-10-13-14(17)5-4-6-15(13)18/h4-9,19H,10H2,1-3H3
InChIKeyUYNHIKNPQXBVLY-UHFFFAOYSA-N
XLogP4.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.98
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-[(2,6-dichlorophenyl)methyl]-4-fluoro-2-methylaniline
CID 29043434
4-N,4-N,2-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 43676922
2-[[4-(dimethylamino)-2-methylanilino]methyl]phenol
CID 43676965
1-N-[(5-chlorothiophen-2-yl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 43676884
4-N,4-N,2-trimethyl-1-N-[(2,4,5-trimethylphenyl)methyl]benzene-1,4-diamine
CID 43779648
4-N,4-N,2-trimethyl-1-N-(1H-pyrrol-2-ylmethyl)benzene-1,4-diamine
CID 55060168
1-N-[(2-bromo-5-chlorophenyl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 66158897
4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline
CID 5209751
4-N,4-N,2-trimethyl-1-N-(pyrimidin-5-ylmethyl)benzene-1,4-diamine
CID 62760453
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylaniline
CID 29273451
N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-2-methylaniline
CID 104815682
4-N,4-N,2-trimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine
CID 81311267

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2,6-dichlorophenyl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-[(2,6-dichlorophenyl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine (CID 43676987) is 1-N-[(2,6-dichlorophenyl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[(2,6-dichlorophenyl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[(2,6-dichlorophenyl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine is Cc1cc(N(C)C)ccc1NCc1c(Cl)cccc1Cl.
What is the InChIKey of 1-N-[(2,6-dichlorophenyl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine?
The InChIKey is UYNHIKNPQXBVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-11-9-12(20(2)3)7-8-16(11)19-10-13-14(17)5-4-6-15(13)18/h4-9,19H,10H2,1-3H3.
What are the key properties of 1-N-[(2,6-dichlorophenyl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine?
1-N-[(2,6-dichlorophenyl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine has a molecular weight of 309.24 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2,6-dichlorophenyl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine is sourced from PubChem (CID 43676987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).