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

C18H25N3 — CID 62280879

IUPACN-methyl-N-[(4-methylphenyl)methyl]-2-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCc1ccc(CN(C)c2ccnc(CNC(C)C)c2)cc1
InChIInChI=1S/C18H25N3/c1-14(2)20-12-17-11-18(9-10-19-17)21(4)13-16-7-5-15(3)6-8-16/h5-11,14,20H,12-13H2,1-4H3
InChIKeyKNPHIXQTKXYXII-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.52
Rot. Bonds6

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

N-methyl-N-[(4-methylphenyl)methyl]-2-[(propan-2-ylamino)methyl]pyridin-4-amine (PubChem CID 62280879) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-methyl-N-[(4-methylphenyl)methyl]-2-[(propan-2-ylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(4-methylphenyl)methyl]-2-[(propan-2-ylamino)methyl]pyridin-4-amine
PubChem CID62280879
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-methyl-N-[(4-methylphenyl)methyl]-2-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCc1ccc(CN(C)c2ccnc(CNC(C)C)c2)cc1
InChIInChI=1S/C18H25N3/c1-14(2)20-12-17-11-18(9-10-19-17)21(4)13-16-7-5-15(3)6-8-16/h5-11,14,20H,12-13H2,1-4H3
InChIKeyKNPHIXQTKXYXII-UHFFFAOYSA-N
XLogP3.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62287320
N-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)pyridin-4-amine
CID 62282233
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62287410
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62282160
N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 63865437
N-[(4-bromophenyl)methyl]-2-(ethylaminomethyl)-N-methylpyridin-4-amine
CID 62287139
N-methyl-N-(oxan-4-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 63707826
N-(4-fluorophenyl)-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62293187
[4-[(4-chlorophenyl)methyl-methylamino]-2-pyridinyl]methanol
CID 61415178
2-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 61413503
[4-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol
CID 61255837
N-methyl-N-(oxolan-3-yl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 82754235

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-2-[(propan-2-ylamino)methyl]pyridin-4-amine?
The IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-2-[(propan-2-ylamino)methyl]pyridin-4-amine (CID 62280879) is N-methyl-N-[(4-methylphenyl)methyl]-2-[(propan-2-ylamino)methyl]pyridin-4-amine.
What is the SMILES notation for N-methyl-N-[(4-methylphenyl)methyl]-2-[(propan-2-ylamino)methyl]pyridin-4-amine?
The canonical SMILES for N-methyl-N-[(4-methylphenyl)methyl]-2-[(propan-2-ylamino)methyl]pyridin-4-amine is Cc1ccc(CN(C)c2ccnc(CNC(C)C)c2)cc1.
What is the InChIKey of N-methyl-N-[(4-methylphenyl)methyl]-2-[(propan-2-ylamino)methyl]pyridin-4-amine?
The InChIKey is KNPHIXQTKXYXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14(2)20-12-17-11-18(9-10-19-17)21(4)13-16-7-5-15(3)6-8-16/h5-11,14,20H,12-13H2,1-4H3.
What are the key properties of N-methyl-N-[(4-methylphenyl)methyl]-2-[(propan-2-ylamino)methyl]pyridin-4-amine?
N-methyl-N-[(4-methylphenyl)methyl]-2-[(propan-2-ylamino)methyl]pyridin-4-amine has a molecular weight of 283.42 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylphenyl)methyl]-2-[(propan-2-ylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 62280879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).