4-N,4-N,2-trimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine

C16H21N3 — CID 81311267

IUPAC4-N,4-N,2-trimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine
SMILESCc1ccc(CNc2ccc(N(C)C)cc2C)nc1
InChIInChI=1S/C16H21N3/c1-12-5-6-14(17-10-12)11-18-16-8-7-15(19(3)4)9-13(16)2/h5-10,18H,11H2,1-4H3
InChIKeyVPTCHRHUDBVNSP-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.38
Rot. Bonds4

About 4-N,4-N,2-trimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine

4-N,4-N,2-trimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine (PubChem CID 81311267) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-N,4-N,2-trimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N,2-trimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine
PubChem CID81311267
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name4-N,4-N,2-trimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine
SMILESCc1ccc(CNc2ccc(N(C)C)cc2C)nc1
InChIInChI=1S/C16H21N3/c1-12-5-6-14(17-10-12)11-18-16-8-7-15(19(3)4)9-13(16)2/h5-10,18H,11H2,1-4H3
InChIKeyVPTCHRHUDBVNSP-UHFFFAOYSA-N
XLogP3.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N,4-N-dimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine
CID 81313245
4-N,4-N,2-trimethyl-1-N-(pyrimidin-5-ylmethyl)benzene-1,4-diamine
CID 62760453
4-N,4-N,2-trimethyl-1-N-(1,3-thiazol-5-ylmethyl)benzene-1,4-diamine
CID 62759246
4-N,4-N,2-trimethyl-1-N-[(2,4,5-trimethylphenyl)methyl]benzene-1,4-diamine
CID 43779648
2-(2-methoxyethoxy)-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81307043
4-N,4-N,2-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 43676922
2-chloro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 103880797
2-fluoro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81312960
1-N-[(2,6-dichlorophenyl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 43676987
2-[[4-(dimethylamino)-2-methylanilino]methyl]phenol
CID 43676965
2-chloro-4-iodo-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81312999
2-chloro-3-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 113344595

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,2-trimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine?
The IUPAC name of 4-N,4-N,2-trimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine (CID 81311267) is 4-N,4-N,2-trimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N,2-trimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N,2-trimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine is Cc1ccc(CNc2ccc(N(C)C)cc2C)nc1.
What is the InChIKey of 4-N,4-N,2-trimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine?
The InChIKey is VPTCHRHUDBVNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-5-6-14(17-10-12)11-18-16-8-7-15(19(3)4)9-13(16)2/h5-10,18H,11H2,1-4H3.
What are the key properties of 4-N,4-N,2-trimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine?
4-N,4-N,2-trimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine has a molecular weight of 255.36 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,2-trimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 81311267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).