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

C17H23N3O — CID 62292816

IUPACN-(3-methoxyphenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCOc1cccc(N(C)c2ccc(CNC(C)C)cn2)c1
InChIInChI=1S/C17H23N3O/c1-13(2)18-11-14-8-9-17(19-12-14)20(3)15-6-5-7-16(10-15)21-4/h5-10,12-13,18H,11H2,1-4H3
InChIKeyCUEHAQCDSPSFIS-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.36
Rot. Bonds6

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

N-(3-methoxyphenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 62292816) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID62292816
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(3-methoxyphenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCOc1cccc(N(C)c2ccc(CNC(C)C)cn2)c1
InChIInChI=1S/C17H23N3O/c1-13(2)18-11-14-8-9-17(19-12-14)20(3)15-6-5-7-16(10-15)21-4/h5-10,12-13,18H,11H2,1-4H3
InChIKeyCUEHAQCDSPSFIS-UHFFFAOYSA-N
XLogP3.36
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(3-methylphenyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62293176
(1R)-1-(3-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 28712390
(2S)-4-methyl-2-[[6-(N-methylanilino)-3-pyridinyl]methylamino]pentanoic acid
CID 122037106
N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]phenoxy]aniline
CID 63942132
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-N-(3-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine
CID 62293001
N'-hydroxy-6-(3-methoxy-N-methylanilino)pyridine-3-carboximidamide
CID 76930674
5-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylpyridin-2-amine
CID 114925895
2-N-(3-methoxyphenyl)-2-N,5-dimethylpyridine-2,4-diamine
CID 83265143
N-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62282456
N-(1-cyclopropylethyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62281707

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of N-(3-methoxyphenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 62292816) is N-(3-methoxyphenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-(3-methoxyphenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine is COc1cccc(N(C)c2ccc(CNC(C)C)cn2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is CUEHAQCDSPSFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13(2)18-11-14-8-9-17(19-12-14)20(3)15-6-5-7-16(10-15)21-4/h5-10,12-13,18H,11H2,1-4H3.
What are the key properties of N-(3-methoxyphenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
N-(3-methoxyphenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 285.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62292816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).