N-[(3-methoxyphenyl)methyl]-N-methyl-1-(3-methylpiperidin-2-yl)methanamine

C16H26N2O — CID 107069067

IUPACN-[(3-methoxyphenyl)methyl]-N-methyl-1-(3-methylpiperidin-2-yl)methanamine
SMILESCOc1cccc(CN(C)CC2NCCCC2C)c1
InChIInChI=1S/C16H26N2O/c1-13-6-5-9-17-16(13)12-18(2)11-14-7-4-8-15(10-14)19-3/h4,7-8,10,13,16-17H,5-6,9,11-12H2,1-3H3
InChIKeyLJGDLJWSZFHXII-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.52
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-N-methyl-1-(3-methylpiperidin-2-yl)methanamine

N-[(3-methoxyphenyl)methyl]-N-methyl-1-(3-methylpiperidin-2-yl)methanamine (PubChem CID 107069067) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-methyl-1-(3-methylpiperidin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-methyl-1-(3-methylpiperidin-2-yl)methanamine
PubChem CID107069067
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-methyl-1-(3-methylpiperidin-2-yl)methanamine
SMILESCOc1cccc(CN(C)CC2NCCCC2C)c1
InChIInChI=1S/C16H26N2O/c1-13-6-5-9-17-16(13)12-18(2)11-14-7-4-8-15(10-14)19-3/h4,7-8,10,13,16-17H,5-6,9,11-12H2,1-3H3
InChIKeyLJGDLJWSZFHXII-UHFFFAOYSA-N
XLogP2.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide
CID 62339975
5-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol
CID 66054578
2-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 62614928
6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-ol
CID 79843512
2-[2-fluoro-1-(3-methoxyphenyl)propan-2-yl]pyrrolidine
CID 105499373
N-methyl-1-(3-methylpyrrolidin-2-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 102775633
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]piperidin-4-ol
CID 62221334
1-cyclopropyl-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
CID 63912379
N-[(3-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 129034350
2-(3-methoxyphenyl)-1-pyrrolidin-2-ylethanol
CID 82080040
N-(cyclohexylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62558136

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-1-(3-methylpiperidin-2-yl)methanamine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-1-(3-methylpiperidin-2-yl)methanamine (CID 107069067) is N-[(3-methoxyphenyl)methyl]-N-methyl-1-(3-methylpiperidin-2-yl)methanamine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-methyl-1-(3-methylpiperidin-2-yl)methanamine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-methyl-1-(3-methylpiperidin-2-yl)methanamine is COc1cccc(CN(C)CC2NCCCC2C)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-methyl-1-(3-methylpiperidin-2-yl)methanamine?
The InChIKey is LJGDLJWSZFHXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-6-5-9-17-16(13)12-18(2)11-14-7-4-8-15(10-14)19-3/h4,7-8,10,13,16-17H,5-6,9,11-12H2,1-3H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-methyl-1-(3-methylpiperidin-2-yl)methanamine?
N-[(3-methoxyphenyl)methyl]-N-methyl-1-(3-methylpiperidin-2-yl)methanamine has a molecular weight of 262.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-methyl-1-(3-methylpiperidin-2-yl)methanamine is sourced from PubChem (CID 107069067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).