(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbut-3-en-1-amine

C15H23NO — CID 171216475

IUPAC(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbut-3-en-1-amine
SMILESC=C(C)C[C@@H](N)c1cc(C(C)C)ccc1OC
InChIInChI=1S/C15H23NO/c1-10(2)8-14(16)13-9-12(11(3)4)6-7-15(13)17-5/h6-7,9,11,14H,1,8,16H2,2-5H3/t14-/m1/s1
InChIKeySEGCDMKNXIJORI-CQSZACIVSA-N
MW233.35 g/mol
LogP3.78
Rot. Bonds5

About (1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbut-3-en-1-amine

(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbut-3-en-1-amine (PubChem CID 171216475) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbut-3-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbut-3-en-1-amine
PubChem CID171216475
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbut-3-en-1-amine
SMILESC=C(C)C[C@@H](N)c1cc(C(C)C)ccc1OC
InChIInChI=1S/C15H23NO/c1-10(2)8-14(16)13-9-12(11(3)4)6-7-15(13)17-5/h6-7,9,11,14H,1,8,16H2,2-5H3/t14-/m1/s1
InChIKeySEGCDMKNXIJORI-CQSZACIVSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171205383
(1R)-3-methyl-1-(2,4,5-trimethoxyphenyl)but-3-en-1-amine;hydrochloride
CID 171199552
(1S)-1-(2-methoxyphenyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171220001
(1S)-1-(3-methoxy-4-methylphenyl)-3-methylbut-3-en-1-amine
CID 171225050
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171216456
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentan-1-amine
CID 171216479
1-(3-fluoro-4-methoxyphenyl)-3-methylbut-3-en-1-amine
CID 105004270
(1S)-1-(3-fluoro-4-methoxyphenyl)-3-methylbut-3-en-1-amine
CID 171221019
amino-(2-methoxy-5-propan-2-ylphenyl)methanol
CID 116939602
1-(2-methoxy-5-propan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935024
(1S)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-amine;hydrochloride
CID 171236084
4-amino-4-(2-methoxy-5-propan-2-ylphenyl)butanoic acid
CID 112511871

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbut-3-en-1-amine?
The IUPAC name of (1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbut-3-en-1-amine (CID 171216475) is (1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbut-3-en-1-amine.
What is the SMILES notation for (1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbut-3-en-1-amine?
The canonical SMILES for (1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbut-3-en-1-amine is C=C(C)C[C@@H](N)c1cc(C(C)C)ccc1OC.
What is the InChIKey of (1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbut-3-en-1-amine?
The InChIKey is SEGCDMKNXIJORI-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23NO/c1-10(2)8-14(16)13-9-12(11(3)4)6-7-15(13)17-5/h6-7,9,11,14H,1,8,16H2,2-5H3/t14-/m1/s1.
What are the key properties of (1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbut-3-en-1-amine?
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbut-3-en-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbut-3-en-1-amine is sourced from PubChem (CID 171216475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).