N-methyl-1-[3-(3-phenoxypropoxy)phenyl]ethanamine

C18H23NO2 — CID 62936434

IUPACN-methyl-1-[3-(3-phenoxypropoxy)phenyl]ethanamine
SMILESCNC(C)c1cccc(OCCCOc2ccccc2)c1
InChIInChI=1S/C18H23NO2/c1-15(19-2)16-8-6-11-18(14-16)21-13-7-12-20-17-9-4-3-5-10-17/h3-6,8-11,14-15,19H,7,12-13H2,1-2H3
InChIKeyXMCUQRIXTQSAIJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.81
Rot. Bonds8

About N-methyl-1-[3-(3-phenoxypropoxy)phenyl]ethanamine

N-methyl-1-[3-(3-phenoxypropoxy)phenyl]ethanamine (PubChem CID 62936434) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-methyl-1-[3-(3-phenoxypropoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(3-phenoxypropoxy)phenyl]ethanamine
PubChem CID62936434
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-methyl-1-[3-(3-phenoxypropoxy)phenyl]ethanamine
SMILESCNC(C)c1cccc(OCCCOc2ccccc2)c1
InChIInChI=1S/C18H23NO2/c1-15(19-2)16-8-6-11-18(14-16)21-13-7-12-20-17-9-4-3-5-10-17/h3-6,8-11,14-15,19H,7,12-13H2,1-2H3
InChIKeyXMCUQRIXTQSAIJ-UHFFFAOYSA-N
XLogP3.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(3-ethoxypropoxy)phenyl]-N-methylethanamine
CID 65176672
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
1-[3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine
CID 103402998
5-[3-[1-(methylamino)ethyl]phenoxy]pentanenitrile
CID 54965992
N-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine
CID 43285217
2-methyl-4-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol
CID 79360997
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
N-methyl-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 60883623
1-[3-(3-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 79167201
(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol
CID 63365536
1-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 114930058
N-methyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide
CID 43279883

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(3-phenoxypropoxy)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[3-(3-phenoxypropoxy)phenyl]ethanamine (CID 62936434) is N-methyl-1-[3-(3-phenoxypropoxy)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[3-(3-phenoxypropoxy)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[3-(3-phenoxypropoxy)phenyl]ethanamine is CNC(C)c1cccc(OCCCOc2ccccc2)c1.
What is the InChIKey of N-methyl-1-[3-(3-phenoxypropoxy)phenyl]ethanamine?
The InChIKey is XMCUQRIXTQSAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-15(19-2)16-8-6-11-18(14-16)21-13-7-12-20-17-9-4-3-5-10-17/h3-6,8-11,14-15,19H,7,12-13H2,1-2H3.
What are the key properties of N-methyl-1-[3-(3-phenoxypropoxy)phenyl]ethanamine?
N-methyl-1-[3-(3-phenoxypropoxy)phenyl]ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(3-phenoxypropoxy)phenyl]ethanamine is sourced from PubChem (CID 62936434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).