N-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine

C17H21NO2 — CID 43285217

IUPACN-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine
SMILESCNC(C)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C17H21NO2/c1-14(18-2)15-8-10-17(11-9-15)20-13-12-19-16-6-4-3-5-7-16/h3-11,14,18H,12-13H2,1-2H3
InChIKeyJYLMHIDBOKFVCK-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.42
Rot. Bonds7

About N-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine

N-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine (PubChem CID 43285217) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine
PubChem CID43285217
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine
SMILESCNC(C)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C17H21NO2/c1-14(18-2)15-8-10-17(11-9-15)20-13-12-19-16-6-4-3-5-7-16/h3-11,14,18H,12-13H2,1-2H3
InChIKeyJYLMHIDBOKFVCK-UHFFFAOYSA-N
XLogP3.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.42
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

(1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine
CID 67664030
3-[4-[1-(methylamino)ethyl]phenoxy]propan-1-ol
CID 43285961
N-methyl-1-[3-(3-phenoxypropoxy)phenyl]ethanamine
CID 62936434
4-[4-[1-(methylamino)ethyl]phenoxy]butanenitrile
CID 60880983
1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 54794924
(1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 78930795
1-[4-(3-methoxy-3-methylbutoxy)phenyl]-N-methylethanamine
CID 103032686
N,N-dimethyl-3-[4-[1-(methylamino)ethyl]phenoxy]propanamide
CID 54879263
1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 43279242
ethane;N-methyl-1-phenylethanamine
CID 91444453
(1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine
CID 81357239
1-[4-(3-phenoxypropoxy)phenyl]ethanamine
CID 13012117

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine (CID 43285217) is N-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine is CNC(C)c1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of N-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine?
The InChIKey is JYLMHIDBOKFVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-14(18-2)15-8-10-17(11-9-15)20-13-12-19-16-6-4-3-5-7-16/h3-11,14,18H,12-13H2,1-2H3.
What are the key properties of N-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine?
N-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine has a molecular weight of 271.36 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine is sourced from PubChem (CID 43285217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).