5-methoxy-2-methyl-N-(pyridin-3-ylmethyl)aniline;molecular hydrogen

C14H18N2O — CID 144774827

IUPAC5-methoxy-2-methyl-N-(pyridin-3-ylmethyl)aniline;molecular hydrogen
SMILESCOc1ccc(C)c(NCc2cccnc2)c1.[H][H]
InChIInChI=1S/C14H16N2O.H2/c1-11-5-6-13(17-2)8-14(11)16-10-12-4-3-7-15-9-12;/h3-9,16H,10H2,1-2H3;1H
InChIKeyRFJMFMXGRXUKIJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.26
Rot. Bonds4

About 5-methoxy-2-methyl-N-(pyridin-3-ylmethyl)aniline;molecular hydrogen

5-methoxy-2-methyl-N-(pyridin-3-ylmethyl)aniline;molecular hydrogen (PubChem CID 144774827) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-methoxy-2-methyl-N-(pyridin-3-ylmethyl)aniline;molecular hydrogen.

Molecular Properties

Compound Name5-methoxy-2-methyl-N-(pyridin-3-ylmethyl)aniline;molecular hydrogen
PubChem CID144774827
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name5-methoxy-2-methyl-N-(pyridin-3-ylmethyl)aniline;molecular hydrogen
SMILESCOc1ccc(C)c(NCc2cccnc2)c1.[H][H]
InChIInChI=1S/C14H16N2O.H2/c1-11-5-6-13(17-2)8-14(11)16-10-12-4-3-7-15-9-12;/h3-9,16H,10H2,1-2H3;1H
InChIKeyRFJMFMXGRXUKIJ-UHFFFAOYSA-N
XLogP3.26
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-methyl-4-(pyridin-3-ylmethylamino)phenoxy]acetate
CID 126832263
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CID 112983082
3-N-[(3-methoxyphenyl)methyl]-4-methylbenzene-1,3-diamine
CID 62589428
5-N-(2,5-dimethoxyphenyl)-3-N-(pyridin-3-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112952411
1-(2,4-dimethoxyphenyl)-3-(pyridin-3-ylmethyl)thiourea
CID 763140
5-tert-butyl-2-methoxy-N-(pyridin-3-ylmethyl)aniline
CID 43425876
1-[3-(4-methoxyphenyl)-4-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]piperazin-1-yl]ethanone
CID 132767525
6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860749
2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrobromide
CID 75531303
2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17292499
4-methoxy-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 102880846
2-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 75356077

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-N-(pyridin-3-ylmethyl)aniline;molecular hydrogen?
The IUPAC name of 5-methoxy-2-methyl-N-(pyridin-3-ylmethyl)aniline;molecular hydrogen (CID 144774827) is 5-methoxy-2-methyl-N-(pyridin-3-ylmethyl)aniline;molecular hydrogen.
What is the SMILES notation for 5-methoxy-2-methyl-N-(pyridin-3-ylmethyl)aniline;molecular hydrogen?
The canonical SMILES for 5-methoxy-2-methyl-N-(pyridin-3-ylmethyl)aniline;molecular hydrogen is COc1ccc(C)c(NCc2cccnc2)c1.[H][H].
What is the InChIKey of 5-methoxy-2-methyl-N-(pyridin-3-ylmethyl)aniline;molecular hydrogen?
The InChIKey is RFJMFMXGRXUKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O.H2/c1-11-5-6-13(17-2)8-14(11)16-10-12-4-3-7-15-9-12;/h3-9,16H,10H2,1-2H3;1H.
What are the key properties of 5-methoxy-2-methyl-N-(pyridin-3-ylmethyl)aniline;molecular hydrogen?
5-methoxy-2-methyl-N-(pyridin-3-ylmethyl)aniline;molecular hydrogen has a molecular weight of 230.31 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-N-(pyridin-3-ylmethyl)aniline;molecular hydrogen is sourced from PubChem (CID 144774827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).