3-(3-methoxyphenyl)-N,N,2,4-tetramethylpent-3-en-1-amine

C16H25NO — CID 18974556

IUPAC3-(3-methoxyphenyl)-N,N,2,4-tetramethylpent-3-en-1-amine
SMILESCOc1cccc(C(=C(C)C)C(C)CN(C)C)c1
InChIInChI=1S/C16H25NO/c1-12(2)16(13(3)11-17(4)5)14-8-7-9-15(10-14)18-6/h7-10,13H,11H2,1-6H3
InChIKeyRUFSZLYNACSUDL-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.69
Rot. Bonds5

About 3-(3-methoxyphenyl)-N,N,2,4-tetramethylpent-3-en-1-amine

3-(3-methoxyphenyl)-N,N,2,4-tetramethylpent-3-en-1-amine (PubChem CID 18974556) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N,N,2,4-tetramethylpent-3-en-1-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N,N,2,4-tetramethylpent-3-en-1-amine
PubChem CID18974556
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-(3-methoxyphenyl)-N,N,2,4-tetramethylpent-3-en-1-amine
SMILESCOc1cccc(C(=C(C)C)C(C)CN(C)C)c1
InChIInChI=1S/C16H25NO/c1-12(2)16(13(3)11-17(4)5)14-8-7-9-15(10-14)18-6/h7-10,13H,11H2,1-6H3
InChIKeyRUFSZLYNACSUDL-UHFFFAOYSA-N
XLogP3.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-(3-methoxyphenyl)-N,N,2-trimethylpent-3-en-1-amine;hydrochloride
CID 68978286
(2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)hexane-1,5-dione
CID 70868340
3-(dimethylamino)-2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-one
CID 90058025
(2S,3S)-3-(3-methoxyphenyl)-N,N,2-trimethylbutan-1-amine
CID 142658972
(E,2S)-2-benzyl-3-(3-methoxyphenyl)-N,N-dimethylpent-3-en-1-amine;hydrochloride
CID 70008456
(2S,3S)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol;hydrochloride
CID 67043376
3-(dimethylamino)-2-(3-methoxyphenyl)propanenitrile
CID 82076986
N-(1-bromopropan-2-yl)-3-methoxy-N-methylbenzamide
CID 104555963
1-(3-methoxyphenyl)ethylideneazanium
CID 135086476
3-[[2-(3-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
CID 106916558
1-methoxy-3-(3-methylbut-1-en-2-yl)benzene
CID 86234042
N-(2-amino-3-methoxypropyl)-3-methoxy-N-methylbenzamide
CID 63753839

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N,N,2,4-tetramethylpent-3-en-1-amine?
The IUPAC name of 3-(3-methoxyphenyl)-N,N,2,4-tetramethylpent-3-en-1-amine (CID 18974556) is 3-(3-methoxyphenyl)-N,N,2,4-tetramethylpent-3-en-1-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-N,N,2,4-tetramethylpent-3-en-1-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-N,N,2,4-tetramethylpent-3-en-1-amine is COc1cccc(C(=C(C)C)C(C)CN(C)C)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N,N,2,4-tetramethylpent-3-en-1-amine?
The InChIKey is RUFSZLYNACSUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)16(13(3)11-17(4)5)14-8-7-9-15(10-14)18-6/h7-10,13H,11H2,1-6H3.
What are the key properties of 3-(3-methoxyphenyl)-N,N,2,4-tetramethylpent-3-en-1-amine?
3-(3-methoxyphenyl)-N,N,2,4-tetramethylpent-3-en-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N,N,2,4-tetramethylpent-3-en-1-amine is sourced from PubChem (CID 18974556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).