(2S)-1-methoxy-N-[(1R)-1-(4-methoxyphenyl)but-3-enyl]-3-methylbutan-2-amine

C17H27NO2 — CID 101042667

IUPAC(2S)-1-methoxy-N-[(1R)-1-(4-methoxyphenyl)but-3-enyl]-3-methylbutan-2-amine
SMILESC=CC[C@@H](N[C@H](COC)C(C)C)c1ccc(OC)cc1
InChIInChI=1S/C17H27NO2/c1-6-7-16(18-17(12-19-4)13(2)3)14-8-10-15(20-5)11-9-14/h6,8-11,13,16-18H,1,7,12H2,2-5H3/t16-,17-/m1/s1
InChIKeyBSRFDGYCUZSJCO-IAGOWNOFSA-N
MW277.41 g/mol
LogP3.57
Rot. Bonds9

About (2S)-1-methoxy-N-[(1R)-1-(4-methoxyphenyl)but-3-enyl]-3-methylbutan-2-amine

(2S)-1-methoxy-N-[(1R)-1-(4-methoxyphenyl)but-3-enyl]-3-methylbutan-2-amine (PubChem CID 101042667) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (2S)-1-methoxy-N-[(1R)-1-(4-methoxyphenyl)but-3-enyl]-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2S)-1-methoxy-N-[(1R)-1-(4-methoxyphenyl)but-3-enyl]-3-methylbutan-2-amine
PubChem CID101042667
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(2S)-1-methoxy-N-[(1R)-1-(4-methoxyphenyl)but-3-enyl]-3-methylbutan-2-amine
SMILESC=CC[C@@H](N[C@H](COC)C(C)C)c1ccc(OC)cc1
InChIInChI=1S/C17H27NO2/c1-6-7-16(18-17(12-19-4)13(2)3)14-8-10-15(20-5)11-9-14/h6,8-11,13,16-18H,1,7,12H2,2-5H3/t16-,17-/m1/s1
InChIKeyBSRFDGYCUZSJCO-IAGOWNOFSA-N
XLogP3.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-1-methoxy-N-[(1R)-1-(4-methoxyphenyl)but-3-enyl]-3-methylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylbutan-2-amine
CID 65047513
(2S)-2-[1-(4-methoxyphenyl)propylamino]-3-methylbutan-1-ol
CID 79254481
4-bromo-N-[1-(4-methoxyphenyl)but-3-enyl]aniline
CID 139240301
1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 10912530
1-[1-(4-methoxyphenyl)but-3-enyl]-2-phenylhydrazine
CID 11471172
4-fluoro-N-[1-(4-methoxyphenyl)but-3-enyl]aniline
CID 11471240
N-[(1S)-1-(4-methoxyphenyl)but-3-enyl]-2-methylpropane-2-sulfinamide
CID 101416899
N-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1-phenylbutan-1-amine
CID 65047919
N-[1-(4-methoxyphenyl)propyl]hex-5-en-2-amine
CID 112551779
1-bromo-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 11255568
ethane;1-hex-5-en-3-yl-4-methoxybenzene
CID 142172169
1-(4-propan-2-yloxyphenyl)but-3-enylhydrazine
CID 105269810

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methoxy-N-[(1R)-1-(4-methoxyphenyl)but-3-enyl]-3-methylbutan-2-amine?
The IUPAC name of (2S)-1-methoxy-N-[(1R)-1-(4-methoxyphenyl)but-3-enyl]-3-methylbutan-2-amine (CID 101042667) is (2S)-1-methoxy-N-[(1R)-1-(4-methoxyphenyl)but-3-enyl]-3-methylbutan-2-amine.
What is the SMILES notation for (2S)-1-methoxy-N-[(1R)-1-(4-methoxyphenyl)but-3-enyl]-3-methylbutan-2-amine?
The canonical SMILES for (2S)-1-methoxy-N-[(1R)-1-(4-methoxyphenyl)but-3-enyl]-3-methylbutan-2-amine is C=CC[C@@H](N[C@H](COC)C(C)C)c1ccc(OC)cc1.
What is the InChIKey of (2S)-1-methoxy-N-[(1R)-1-(4-methoxyphenyl)but-3-enyl]-3-methylbutan-2-amine?
The InChIKey is BSRFDGYCUZSJCO-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-7-16(18-17(12-19-4)13(2)3)14-8-10-15(20-5)11-9-14/h6,8-11,13,16-18H,1,7,12H2,2-5H3/t16-,17-/m1/s1.
What are the key properties of (2S)-1-methoxy-N-[(1R)-1-(4-methoxyphenyl)but-3-enyl]-3-methylbutan-2-amine?
(2S)-1-methoxy-N-[(1R)-1-(4-methoxyphenyl)but-3-enyl]-3-methylbutan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methoxy-N-[(1R)-1-(4-methoxyphenyl)but-3-enyl]-3-methylbutan-2-amine is sourced from PubChem (CID 101042667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).