3-N-[(3,4-dimethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine

C16H21N3 — CID 43784216

IUPAC3-N-[(3,4-dimethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
SMILESCc1ccc(CNc2cccnc2N(C)C)cc1C
InChIInChI=1S/C16H21N3/c1-12-7-8-14(10-13(12)2)11-18-15-6-5-9-17-16(15)19(3)4/h5-10,18H,11H2,1-4H3
InChIKeyPPHJHQMFVREYHZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.38
Rot. Bonds4

About 3-N-[(3,4-dimethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine

3-N-[(3,4-dimethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine (PubChem CID 43784216) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-N-[(3,4-dimethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-[(3,4-dimethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
PubChem CID43784216
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name3-N-[(3,4-dimethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
SMILESCc1ccc(CNc2cccnc2N(C)C)cc1C
InChIInChI=1S/C16H21N3/c1-12-7-8-14(10-13(12)2)11-18-15-6-5-9-17-16(15)19(3)4/h5-10,18H,11H2,1-4H3
InChIKeyPPHJHQMFVREYHZ-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

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Related Compounds

4-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzonitrile
CID 43707745
3-N-(furan-3-ylmethyl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 63204353
3-N-[(4-chloro-2-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 103275724
2-N,2-N-dimethyl-3-N-propylpyridine-2,3-diamine
CID 43707989
3-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707777
3-N-butyl-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707987
3-N-[(2-ethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 55067063
2-N-[(4-chloro-3-methylphenyl)methyl]-3-N,3-N-dimethylpyrazine-2,3-diamine
CID 133475787
3-N-[(2,3-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707640
2-methyl-N-(naphthalen-2-ylmethyl)pyridin-3-amine
CID 79042132
3-N-[(2-chloro-4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 103096855
N-[(3,4-dimethylphenyl)methyl]quinolin-6-amine
CID 62634241

Frequently Asked Questions

What is the IUPAC name of 3-N-[(3,4-dimethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
The IUPAC name of 3-N-[(3,4-dimethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine (CID 43784216) is 3-N-[(3,4-dimethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine.
What is the SMILES notation for 3-N-[(3,4-dimethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
The canonical SMILES for 3-N-[(3,4-dimethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine is Cc1ccc(CNc2cccnc2N(C)C)cc1C.
What is the InChIKey of 3-N-[(3,4-dimethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
The InChIKey is PPHJHQMFVREYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-7-8-14(10-13(12)2)11-18-15-6-5-9-17-16(15)19(3)4/h5-10,18H,11H2,1-4H3.
What are the key properties of 3-N-[(3,4-dimethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
3-N-[(3,4-dimethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-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 3-N-[(3,4-dimethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine is sourced from PubChem (CID 43784216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).