4-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]butan-1-amine

C19H25NO2 — CID 2184702

IUPAC4-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]butan-1-amine
SMILESCOc1cccc(OCCCCN[C@@H](C)c2ccccc2)c1
InChIInChI=1S/C19H25NO2/c1-16(17-9-4-3-5-10-17)20-13-6-7-14-22-19-12-8-11-18(15-19)21-2/h3-5,8-12,15-16,20H,6-7,13-14H2,1-2H3/t16-/m0/s1
InChIKeySBDDKNUQHZXLFC-INIZCTEOSA-N
MW299.41 g/mol
LogP4.20
Rot. Bonds9

About 4-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]butan-1-amine

4-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]butan-1-amine (PubChem CID 2184702) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 4-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]butan-1-amine.

Molecular Properties

Compound Name4-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]butan-1-amine
PubChem CID2184702
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name4-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]butan-1-amine
SMILESCOc1cccc(OCCCCN[C@@H](C)c2ccccc2)c1
InChIInChI=1S/C19H25NO2/c1-16(17-9-4-3-5-10-17)20-13-6-7-14-22-19-12-8-11-18(15-19)21-2/h3-5,8-12,15-16,20H,6-7,13-14H2,1-2H3/t16-/m0/s1
InChIKeySBDDKNUQHZXLFC-INIZCTEOSA-N
XLogP4.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.20
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

3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 2183586
N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-1-amine
CID 104893847
N-[1-(3-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 18357750
N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-1-amine
CID 30052666
(1S)-N-[2-(4-methoxyphenoxy)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 95972955
3-[2-(1-phenylethylamino)ethoxy]aniline
CID 112509070
N-[(1R)-1-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 81361126
1-(3-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 60976496
3-ethoxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 43196156
N,N'-bis[(1R)-1-phenylethyl]heptane-1,7-diamine
CID 101387383
4-[1-(3-methoxyphenyl)ethylamino]butanoic acid
CID 54920471
3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81409698

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]butan-1-amine?
The IUPAC name of 4-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]butan-1-amine (CID 2184702) is 4-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]butan-1-amine.
What is the SMILES notation for 4-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]butan-1-amine?
The canonical SMILES for 4-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]butan-1-amine is COc1cccc(OCCCCN[C@@H](C)c2ccccc2)c1.
What is the InChIKey of 4-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]butan-1-amine?
The InChIKey is SBDDKNUQHZXLFC-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25NO2/c1-16(17-9-4-3-5-10-17)20-13-6-7-14-22-19-12-8-11-18(15-19)21-2/h3-5,8-12,15-16,20H,6-7,13-14H2,1-2H3/t16-/m0/s1.
What are the key properties of 4-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]butan-1-amine?
4-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]butan-1-amine has a molecular weight of 299.41 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]butan-1-amine is sourced from PubChem (CID 2184702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).