N-[[3-methyl-4-(2-methylphenoxy)phenyl]methyl]ethanamine

C17H21NO — CID 63552188

IUPACN-[[3-methyl-4-(2-methylphenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2ccccc2C)c(C)c1
InChIInChI=1S/C17H21NO/c1-4-18-12-15-9-10-17(14(3)11-15)19-16-8-6-5-7-13(16)2/h5-11,18H,4,12H2,1-3H3
InChIKeyMFNCLVSMHQCTNL-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.21
Rot. Bonds5

About N-[[3-methyl-4-(2-methylphenoxy)phenyl]methyl]ethanamine

N-[[3-methyl-4-(2-methylphenoxy)phenyl]methyl]ethanamine (PubChem CID 63552188) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[[3-methyl-4-(2-methylphenoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-methyl-4-(2-methylphenoxy)phenyl]methyl]ethanamine
PubChem CID63552188
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-[[3-methyl-4-(2-methylphenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2ccccc2C)c(C)c1
InChIInChI=1S/C17H21NO/c1-4-18-12-15-9-10-17(14(3)11-15)19-16-8-6-5-7-13(16)2/h5-11,18H,4,12H2,1-3H3
InChIKeyMFNCLVSMHQCTNL-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(2-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406669
N-[[4-(2-fluoro-5-methylphenoxy)-3-methylphenyl]methyl]ethanamine
CID 64855811
N-[[3-[(2-methylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62452902
N-[[4-(3-fluoro-4-methylphenoxy)-3-methylphenyl]methyl]ethanamine
CID 107169923
N-[[5-chloro-6-(2-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 55058407
N-[[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine
CID 102990193
1-[4-(2-fluoro-3-methylphenoxy)-3-methylphenyl]-N-methylmethanamine
CID 107659646
N-[[3-(4-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406759
[4-(2-ethylphenoxy)-3-methylphenyl]methanol
CID 62125436
N-[[4-methyl-3-(2,3,6-trimethylphenoxy)phenyl]methyl]ethanamine
CID 105406973
N-[[3-(2-bromo-4-chlorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406870
N-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075332

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-4-(2-methylphenoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-methyl-4-(2-methylphenoxy)phenyl]methyl]ethanamine (CID 63552188) is N-[[3-methyl-4-(2-methylphenoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-methyl-4-(2-methylphenoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-methyl-4-(2-methylphenoxy)phenyl]methyl]ethanamine is CCNCc1ccc(Oc2ccccc2C)c(C)c1.
What is the InChIKey of N-[[3-methyl-4-(2-methylphenoxy)phenyl]methyl]ethanamine?
The InChIKey is MFNCLVSMHQCTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-4-18-12-15-9-10-17(14(3)11-15)19-16-8-6-5-7-13(16)2/h5-11,18H,4,12H2,1-3H3.
What are the key properties of N-[[3-methyl-4-(2-methylphenoxy)phenyl]methyl]ethanamine?
N-[[3-methyl-4-(2-methylphenoxy)phenyl]methyl]ethanamine has a molecular weight of 255.36 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-4-(2-methylphenoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 63552188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).