N-methyl-N-(3-methylphenyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine

C17H23N3 — CID 62293176

IUPACN-methyl-N-(3-methylphenyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCc1cccc(N(C)c2ccc(CNC(C)C)cn2)c1
InChIInChI=1S/C17H23N3/c1-13(2)18-11-15-8-9-17(19-12-15)20(4)16-7-5-6-14(3)10-16/h5-10,12-13,18H,11H2,1-4H3
InChIKeyXWPAUEDGZIVRAX-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.66
Rot. Bonds5

About N-methyl-N-(3-methylphenyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine

N-methyl-N-(3-methylphenyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 62293176) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-methyl-N-(3-methylphenyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methylphenyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID62293176
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-methyl-N-(3-methylphenyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCc1cccc(N(C)c2ccc(CNC(C)C)cn2)c1
InChIInChI=1S/C17H23N3/c1-13(2)18-11-15-8-9-17(19-12-15)20(4)16-7-5-6-14(3)10-16/h5-10,12-13,18H,11H2,1-4H3
InChIKeyXWPAUEDGZIVRAX-UHFFFAOYSA-N
XLogP3.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62292816
N-methyl-N-(3-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine
CID 62293001
N-[[6-(3-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine
CID 80650999
N-ethyl-3-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline
CID 63550784
(2S)-4-methyl-2-[[6-(N-methylanilino)-3-pyridinyl]methylamino]pentanoic acid
CID 122037106
N-(3,3-dimethylbutan-2-yl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62284058
N-methyl-N-(2-phenylethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 65488451
N-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62282456
2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-(3-methylphenyl)acetic acid
CID 167884017
N-(1-cyclopropylethyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62281707
N-(cyclobutylmethyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62855473
4-chloro-N-methyl-N-(3-methylphenyl)-2-[(propan-2-ylamino)methyl]aniline
CID 114850493

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylphenyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of N-methyl-N-(3-methylphenyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 62293176) is N-methyl-N-(3-methylphenyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-N-(3-methylphenyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-N-(3-methylphenyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine is Cc1cccc(N(C)c2ccc(CNC(C)C)cn2)c1.
What is the InChIKey of N-methyl-N-(3-methylphenyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is XWPAUEDGZIVRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13(2)18-11-15-8-9-17(19-12-15)20(4)16-7-5-6-14(3)10-16/h5-10,12-13,18H,11H2,1-4H3.
What are the key properties of N-methyl-N-(3-methylphenyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
N-methyl-N-(3-methylphenyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylphenyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62293176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).