N-(azetidin-3-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine

C16H26N2O — CID 115207906

IUPACN-(azetidin-3-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine
SMILESCOc1cc(C)c(C)cc1CCN(C)CC1CNC1
InChIInChI=1S/C16H26N2O/c1-12-7-15(16(19-4)8-13(12)2)5-6-18(3)11-14-9-17-10-14/h7-8,14,17H,5-6,9-11H2,1-4H3
InChIKeyDCSIDUZXYNWSQL-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.01
Rot. Bonds6

About N-(azetidin-3-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine

N-(azetidin-3-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine (PubChem CID 115207906) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine
PubChem CID115207906
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(azetidin-3-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine
SMILESCOc1cc(C)c(C)cc1CCN(C)CC1CNC1
InChIInChI=1S/C16H26N2O/c1-12-7-15(16(19-4)8-13(12)2)5-6-18(3)11-14-9-17-10-14/h7-8,14,17H,5-6,9-11H2,1-4H3
InChIKeyDCSIDUZXYNWSQL-UHFFFAOYSA-N
XLogP2.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(hydrazinylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine
CID 115261266
N-(azetidin-3-ylmethyl)-2,5-dimethoxy-N,4-dimethylaniline
CID 115207406
N-(azetidin-3-ylmethyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 115207956
3-[(2,5-dimethoxy-4-methylphenyl)methyl]azetidine
CID 82286623
3-[2-(2-methoxy-4,5-dimethylphenyl)ethyl-methylamino]propanenitrile
CID 115231209
N-(azetidin-3-ylmethyl)-2-(2,5-dimethoxy-4-methylphenyl)ethanamine
CID 115207803
N-(azetidin-3-ylmethyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 115207950
1-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanamine
CID 115207629
2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]acetaldehyde
CID 115223365
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylazetidin-3-amine
CID 117040677
N'-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-N,N'-dimethylethane-1,2-diamine
CID 115196106
3-[(2,4,5-trimethoxyphenyl)methyl]azetidine
CID 16779967

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine?
The IUPAC name of N-(azetidin-3-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine (CID 115207906) is N-(azetidin-3-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for N-(azetidin-3-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine is COc1cc(C)c(C)cc1CCN(C)CC1CNC1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine?
The InChIKey is DCSIDUZXYNWSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-7-15(16(19-4)8-13(12)2)5-6-18(3)11-14-9-17-10-14/h7-8,14,17H,5-6,9-11H2,1-4H3.
What are the key properties of N-(azetidin-3-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine?
N-(azetidin-3-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 115207906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).