N-(2,4-dimethylphenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine

C18H25N3 — CID 62294689

IUPACN-(2,4-dimethylphenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCc1ccc(N(C)c2cc(CNC(C)C)ccn2)c(C)c1
InChIInChI=1S/C18H25N3/c1-13(2)20-12-16-8-9-19-18(11-16)21(5)17-7-6-14(3)10-15(17)4/h6-11,13,20H,12H2,1-5H3
InChIKeyNWNBTKFLHJSZFE-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.96
Rot. Bonds5

About N-(2,4-dimethylphenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine

N-(2,4-dimethylphenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 62294689) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID62294689
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-(2,4-dimethylphenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCc1ccc(N(C)c2cc(CNC(C)C)ccn2)c(C)c1
InChIInChI=1S/C18H25N3/c1-13(2)20-12-16-8-9-19-18(11-16)21(5)17-7-6-14(3)10-15(17)4/h6-11,13,20H,12H2,1-5H3
InChIKeyNWNBTKFLHJSZFE-UHFFFAOYSA-N
XLogP3.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 62294689) is N-(2,4-dimethylphenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine is Cc1ccc(N(C)c2cc(CNC(C)C)ccn2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is NWNBTKFLHJSZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-13(2)20-12-16-8-9-19-18(11-16)21(5)17-7-6-14(3)10-15(17)4/h6-11,13,20H,12H2,1-5H3.
What are the key properties of N-(2,4-dimethylphenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
N-(2,4-dimethylphenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 283.42 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62294689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).