2-[(2-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine

C16H25NO — CID 102640962

IUPAC2-[(2-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
SMILESC=CC(C)(CNC(C)C)Cc1ccccc1OC
InChIInChI=1S/C16H25NO/c1-6-16(4,12-17-13(2)3)11-14-9-7-8-10-15(14)18-5/h6-10,13,17H,1,11-12H2,2-5H3
InChIKeyMCSVBLMUTMECSH-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.43
Rot. Bonds7

About 2-[(2-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine

2-[(2-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine (PubChem CID 102640962) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
PubChem CID102640962
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[(2-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
SMILESC=CC(C)(CNC(C)C)Cc1ccccc1OC
InChIInChI=1S/C16H25NO/c1-6-16(4,12-17-13(2)3)11-14-9-7-8-10-15(14)18-5/h6-10,13,17H,1,11-12H2,2-5H3
InChIKeyMCSVBLMUTMECSH-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.43
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

2-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbut-3-en-1-amine
CID 102641068
1-[2-(chloromethyl)-2-methylbut-3-enyl]-2-methoxybenzene
CID 102642148
N-tert-butyl-2-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbut-3-en-1-amine
CID 102641411
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
2-[(2,4-dichlorophenyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102640971
2-(furan-2-ylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102641014
2-methyl-N-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]but-3-en-1-amine
CID 102640980
2-methyl-2-(phenylmethoxymethyl)-N-propan-2-ylbut-3-en-1-amine
CID 102940664
2-[(2-methoxyphenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83151448
2-[(2-methoxyphenyl)methyl]-2-methylbutanenitrile
CID 65376186
N-ethyl-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 62724934
2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 65487307

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine (CID 102640962) is 2-[(2-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine is C=CC(C)(CNC(C)C)Cc1ccccc1OC.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine?
The InChIKey is MCSVBLMUTMECSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-6-16(4,12-17-13(2)3)11-14-9-7-8-10-15(14)18-5/h6-10,13,17H,1,11-12H2,2-5H3.
What are the key properties of 2-[(2-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine?
2-[(2-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine is sourced from PubChem (CID 102640962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).