(1R)-1-(4-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine

C16H27NO2 — CID 81370490

IUPAC(1R)-1-(4-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
SMILESCOc1ccc([C@@H](C)NCCOCCC(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-13(2)9-11-19-12-10-17-14(3)15-5-7-16(18-4)8-6-15/h5-8,13-14,17H,9-12H2,1-4H3/t14-/m1/s1
InChIKeyBHNDALJURQCBPQ-CQSZACIVSA-N
MW265.40 g/mol
LogP3.41
Rot. Bonds9

About (1R)-1-(4-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine

(1R)-1-(4-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine (PubChem CID 81370490) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is (1R)-1-(4-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
PubChem CID81370490
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name(1R)-1-(4-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
SMILESCOc1ccc([C@@H](C)NCCOCCC(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-13(2)9-11-19-12-10-17-14(3)15-5-7-16(18-4)8-6-15/h5-8,13-14,17H,9-12H2,1-4H3/t14-/m1/s1
InChIKeyBHNDALJURQCBPQ-CQSZACIVSA-N
XLogP3.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.41
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-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(4-methoxyphenyl)ethanamine
CID 104562502
(1S)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81370691
N-[2-(3-methylbutoxy)ethyl]-1-phenylethanamine
CID 61483773
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 83155306
3-butoxy-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 115704468
2-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]ethoxy]ethanol
CID 43207599
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 81370484
(1S)-N-[2-(3-methylbutoxy)ethyl]-1-(3-methylphenyl)ethanamine
CID 81360285
3-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 81370417
3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol
CID 43206530
N,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine
CID 23154308
(1R)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methylphenyl)ethanamine
CID 81357099

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine?
The IUPAC name of (1R)-1-(4-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine (CID 81370490) is (1R)-1-(4-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine?
The canonical SMILES for (1R)-1-(4-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine is COc1ccc([C@@H](C)NCCOCCC(C)C)cc1.
What is the InChIKey of (1R)-1-(4-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine?
The InChIKey is BHNDALJURQCBPQ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13(2)9-11-19-12-10-17-14(3)15-5-7-16(18-4)8-6-15/h5-8,13-14,17H,9-12H2,1-4H3/t14-/m1/s1.
What are the key properties of (1R)-1-(4-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine?
(1R)-1-(4-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine has a molecular weight of 265.40 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine is sourced from PubChem (CID 81370490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).