N-methyl-1-[2-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine

C18H23NO — CID 62485666

IUPACN-methyl-1-[2-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine
SMILESCNCc1ccccc1COc1cc(C)cc(C)c1C
InChIInChI=1S/C18H23NO/c1-13-9-14(2)15(3)18(10-13)20-12-17-8-6-5-7-16(17)11-19-4/h5-10,19H,11-12H2,1-4H3
InChIKeyWYZYOKCBCHNBLV-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.91
Rot. Bonds5

About N-methyl-1-[2-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine

N-methyl-1-[2-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine (PubChem CID 62485666) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-methyl-1-[2-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine
PubChem CID62485666
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-methyl-1-[2-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine
SMILESCNCc1ccccc1COc1cc(C)cc(C)c1C
InChIInChI=1S/C18H23NO/c1-13-9-14(2)15(3)18(10-13)20-12-17-8-6-5-7-16(17)11-19-4/h5-10,19H,11-12H2,1-4H3
InChIKeyWYZYOKCBCHNBLV-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-3-[(2,3,5-trimethylphenoxy)methyl]pyridine
CID 62471218
N-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62452512
1-[2-[(5-bromo-2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 114676917
N-methyl-1-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]methanamine
CID 62449458
N-[[2-[(2,4-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62453998
N-methyl-1-[2-[(2-prop-2-enylphenoxy)methyl]phenyl]methanamine
CID 62523589
2-[[2-(bromomethyl)phenyl]methoxy]-1,4-dimethylbenzene
CID 90113514
3-fluoro-4-[(2,3,5-trimethylphenoxy)methyl]benzonitrile
CID 28880567
3-methyl-4-[[2-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 114479464
1-[2-[(3-methoxyphenoxy)methyl]phenyl]-N-methylmethanamine
CID 62453866
N-methyl-2-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]acetamide
CID 129039360
1-[(5-bromo-2-methoxyphenyl)methoxy]-2,3,5-trimethylbenzene
CID 63457710

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine?
The IUPAC name of N-methyl-1-[2-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine (CID 62485666) is N-methyl-1-[2-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[2-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine is CNCc1ccccc1COc1cc(C)cc(C)c1C.
What is the InChIKey of N-methyl-1-[2-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine?
The InChIKey is WYZYOKCBCHNBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13-9-14(2)15(3)18(10-13)20-12-17-8-6-5-7-16(17)11-19-4/h5-10,19H,11-12H2,1-4H3.
What are the key properties of N-methyl-1-[2-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine?
N-methyl-1-[2-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine has a molecular weight of 269.39 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 62485666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).