3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine

C18H23NO2 — CID 2183586

IUPAC3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine
SMILESCOc1ccc(OCCCN[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-15(16-7-4-3-5-8-16)19-13-6-14-21-18-11-9-17(20-2)10-12-18/h3-5,7-12,15,19H,6,13-14H2,1-2H3/t15-/m1/s1
InChIKeySDKWLSSJSGKEOT-OAHLLOKOSA-N
MW285.39 g/mol
LogP3.81
Rot. Bonds8

About 3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine

3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine (PubChem CID 2183586) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine
PubChem CID2183586
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine
SMILESCOc1ccc(OCCCN[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-15(16-7-4-3-5-8-16)19-13-6-14-21-18-11-9-17(20-2)10-12-18/h3-5,7-12,15,19H,6,13-14H2,1-2H3/t15-/m1/s1
InChIKeySDKWLSSJSGKEOT-OAHLLOKOSA-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

N-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine
CID 112798597
4-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]butan-1-amine
CID 2184702
(1S)-N-[2-(4-methoxyphenoxy)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 95972955
3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81409698
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 29042009
3-butoxy-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 115704468
N-[(1R)-1-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 81361126
N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine
CID 12964090
(1S)-1-(4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 81370951
N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-(4-methylphenoxy)propan-1-amine
CID 166384960
(1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine
CID 81357239
3-naphthalen-1-yloxy-N-[(1S)-1-phenylethyl]propan-1-amine
CID 2183626

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine?
The IUPAC name of 3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine (CID 2183586) is 3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine.
What is the SMILES notation for 3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine?
The canonical SMILES for 3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine is COc1ccc(OCCCN[C@H](C)c2ccccc2)cc1.
What is the InChIKey of 3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine?
The InChIKey is SDKWLSSJSGKEOT-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23NO2/c1-15(16-7-4-3-5-8-16)19-13-6-14-21-18-11-9-17(20-2)10-12-18/h3-5,7-12,15,19H,6,13-14H2,1-2H3/t15-/m1/s1.
What are the key properties of 3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine?
3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine 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 3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine is sourced from PubChem (CID 2183586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).