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

C17H21NO — CID 62452902

IUPACN-[[3-[(2-methylphenoxy)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(COc2ccccc2C)c1
InChIInChI=1S/C17H21NO/c1-3-18-12-15-8-6-9-16(11-15)13-19-17-10-5-4-7-14(17)2/h4-11,18H,3,12-13H2,1-2H3
InChIKeyDSWNFWZOHGRWLG-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.68
Rot. Bonds6

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

N-[[3-[(2-methylphenoxy)methyl]phenyl]methyl]ethanamine (PubChem CID 62452902) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[[3-[(2-methylphenoxy)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(2-methylphenoxy)methyl]phenyl]methyl]ethanamine
PubChem CID62452902
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-[[3-[(2-methylphenoxy)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(COc2ccccc2C)c1
InChIInChI=1S/C17H21NO/c1-3-18-12-15-8-6-9-16(11-15)13-19-17-10-5-4-7-14(17)2/h4-11,18H,3,12-13H2,1-2H3
InChIKeyDSWNFWZOHGRWLG-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(2-prop-1-enylphenoxy)methyl]phenyl]methyl]ethanamine
CID 76943625
N-[[3-[(2-bromo-4-methylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62460175
N-[[3-[(2-methoxy-4-methylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62449938
N-[[4-[(2,3-dimethylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62452788
N-[[3-[(3-methoxyphenoxy)methyl]phenyl]methyl]ethanamine
CID 62453859
N-[[3-methyl-4-(2-methylphenoxy)phenyl]methyl]ethanamine
CID 63552188
1-methoxy-3-[(2-methylphenoxy)methyl]benzene
CID 59416569
N-[[4-[(2-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62452911
N-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 43278774
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63499398
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665
N-[[3-[(4-methylsulfanylphenoxy)methyl]phenyl]methyl]ethanamine
CID 63649093

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-methylphenoxy)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-[(2-methylphenoxy)methyl]phenyl]methyl]ethanamine (CID 62452902) is N-[[3-[(2-methylphenoxy)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(2-methylphenoxy)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(2-methylphenoxy)methyl]phenyl]methyl]ethanamine is CCNCc1cccc(COc2ccccc2C)c1.
What is the InChIKey of N-[[3-[(2-methylphenoxy)methyl]phenyl]methyl]ethanamine?
The InChIKey is DSWNFWZOHGRWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-18-12-15-8-6-9-16(11-15)13-19-17-10-5-4-7-14(17)2/h4-11,18H,3,12-13H2,1-2H3.
What are the key properties of N-[[3-[(2-methylphenoxy)methyl]phenyl]methyl]ethanamine?
N-[[3-[(2-methylphenoxy)methyl]phenyl]methyl]ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-methylphenoxy)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 62452902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).