N-methyl-N-(4-methylphenyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine

C18H25N3 — CID 62282701

IUPACN-methyl-N-(4-methylphenyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCc1ccc(N(C)c2ncccc2CNCC(C)C)cc1
InChIInChI=1S/C18H25N3/c1-14(2)12-19-13-16-6-5-11-20-18(16)21(4)17-9-7-15(3)8-10-17/h5-11,14,19H,12-13H2,1-4H3
InChIKeyLYRWEPQDTYHDFX-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.90
Rot. Bonds6

About N-methyl-N-(4-methylphenyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine

N-methyl-N-(4-methylphenyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine (PubChem CID 62282701) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-methyl-N-(4-methylphenyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-(4-methylphenyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine
PubChem CID62282701
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-methyl-N-(4-methylphenyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCc1ccc(N(C)c2ncccc2CNCC(C)C)cc1
InChIInChI=1S/C18H25N3/c1-14(2)12-19-13-16-6-5-11-20-18(16)21(4)17-9-7-15(3)8-10-17/h5-11,14,19H,12-13H2,1-4H3
InChIKeyLYRWEPQDTYHDFX-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62294691
N-butan-2-yl-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62281070
1-[methyl-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol
CID 114056940
3-[(2-methylpropylamino)methyl]-N,N-dipropylpyridin-2-amine
CID 62285279
N-(cyclohexylmethyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62287115
N-[[2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64854495
2-methyl-N-[[2-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62290330
N,N-bis(2-methylpropyl)-3-(propylaminomethyl)pyridin-2-amine
CID 62283165
2-methyl-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62296801
3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile
CID 62895521
3-(ethylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine
CID 107871204
N-methyl-2-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)aniline
CID 63060222

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylphenyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
The IUPAC name of N-methyl-N-(4-methylphenyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine (CID 62282701) is N-methyl-N-(4-methylphenyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-N-(4-methylphenyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-N-(4-methylphenyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine is Cc1ccc(N(C)c2ncccc2CNCC(C)C)cc1.
What is the InChIKey of N-methyl-N-(4-methylphenyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
The InChIKey is LYRWEPQDTYHDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14(2)12-19-13-16-6-5-11-20-18(16)21(4)17-9-7-15(3)8-10-17/h5-11,14,19H,12-13H2,1-4H3.
What are the key properties of N-methyl-N-(4-methylphenyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
N-methyl-N-(4-methylphenyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine has a molecular weight of 283.42 g/mol, XLogP of 3.90, 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)-3-[(2-methylpropylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62282701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).