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

C16H19NO — CID 63942314

IUPACN-[[3-(3-methylphenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(Oc2cccc(C)c2)c1
InChIInChI=1S/C16H19NO/c1-3-17-12-14-7-5-9-16(11-14)18-15-8-4-6-13(2)10-15/h4-11,17H,3,12H2,1-2H3
InChIKeyCXZXDDDOCHJPOO-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.90
Rot. Bonds5

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

N-[[3-(3-methylphenoxy)phenyl]methyl]ethanamine (PubChem CID 63942314) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[[3-(3-methylphenoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(3-methylphenoxy)phenyl]methyl]ethanamine
PubChem CID63942314
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-[[3-(3-methylphenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(Oc2cccc(C)c2)c1
InChIInChI=1S/C16H19NO/c1-3-17-12-14-7-5-9-16(11-14)18-15-8-4-6-13(2)10-15/h4-11,17H,3,12H2,1-2H3
InChIKeyCXZXDDDOCHJPOO-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(4-propylphenoxy)phenyl]methyl]ethanamine
CID 63942334
N-[[2-methyl-4-(3-methylphenoxy)phenyl]methyl]ethanamine
CID 55221832
N-[[3-(3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine
CID 63942115
N-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine
CID 63943697
[3-(ethylaminomethyl)phenyl] hypochlorite
CID 163518139
N-[[4-(3-methylphenoxy)phenyl]methyl]propan-1-amine
CID 19069340
N-[[3-(5-methyl-2-nitrophenoxy)phenyl]methyl]ethanamine
CID 63942722
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
N-[(3-butan-2-yloxyphenyl)methyl]ethanamine
CID 43278347
1-(3-butoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 54804115
3-methyl-N-[(3-phenoxyphenyl)methyl]aniline
CID 86024884
N-[[3-bromo-4-[(3-methylphenoxy)methyl]phenyl]methyl]ethanamine
CID 102773019

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methylphenoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(3-methylphenoxy)phenyl]methyl]ethanamine (CID 63942314) is N-[[3-(3-methylphenoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(3-methylphenoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(3-methylphenoxy)phenyl]methyl]ethanamine is CCNCc1cccc(Oc2cccc(C)c2)c1.
What is the InChIKey of N-[[3-(3-methylphenoxy)phenyl]methyl]ethanamine?
The InChIKey is CXZXDDDOCHJPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-17-12-14-7-5-9-16(11-14)18-15-8-4-6-13(2)10-15/h4-11,17H,3,12H2,1-2H3.
What are the key properties of N-[[3-(3-methylphenoxy)phenyl]methyl]ethanamine?
N-[[3-(3-methylphenoxy)phenyl]methyl]ethanamine has a molecular weight of 241.33 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methylphenoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 63942314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).