[2-methoxy-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanamine

C17H23N3O — CID 106785650

IUPAC[2-methoxy-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanamine
SMILESCOc1cc(CN(C)Cc2cccc(C)n2)ccc1CN
InChIInChI=1S/C17H23N3O/c1-13-5-4-6-16(19-13)12-20(2)11-14-7-8-15(10-18)17(9-14)21-3/h4-9H,10-12,18H2,1-3H3
InChIKeyAVUOOTGTWWXPAZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.49
Rot. Bonds6

About [2-methoxy-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanamine

[2-methoxy-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanamine (PubChem CID 106785650) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [2-methoxy-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanamine
PubChem CID106785650
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[2-methoxy-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanamine
SMILESCOc1cc(CN(C)Cc2cccc(C)n2)ccc1CN
InChIInChI=1S/C17H23N3O/c1-13-5-4-6-16(19-13)12-20(2)11-14-7-8-15(10-18)17(9-14)21-3/h4-9H,10-12,18H2,1-3H3
InChIKeyAVUOOTGTWWXPAZ-UHFFFAOYSA-N
XLogP2.49
TPSA51.38 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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785290
[4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785236
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
CID 78995477
[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785291
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 106785505
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,3,5-trimethylaniline
CID 106785440
[2-methoxy-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 65341080
[5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine
CID 65340886
[4-fluoro-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64769897
[4-methoxy-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 62018363
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-ethyl-N-methylaniline
CID 106785439
N-methyl-2-[4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]ethanamine
CID 105348013

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanamine?
The IUPAC name of [2-methoxy-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanamine (CID 106785650) is [2-methoxy-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanamine.
What is the SMILES notation for [2-methoxy-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanamine?
The canonical SMILES for [2-methoxy-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanamine is COc1cc(CN(C)Cc2cccc(C)n2)ccc1CN.
What is the InChIKey of [2-methoxy-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanamine?
The InChIKey is AVUOOTGTWWXPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-5-4-6-16(19-13)12-20(2)11-14-7-8-15(10-18)17(9-14)21-3/h4-9H,10-12,18H2,1-3H3.
What are the key properties of [2-methoxy-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanamine?
[2-methoxy-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanamine has a molecular weight of 285.39 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanamine is sourced from PubChem (CID 106785650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).