ethane;N-methyl-4-phenylbut-1-en-2-amine

C13H21N — CID 143280576

IUPACethane;N-methyl-4-phenylbut-1-en-2-amine
SMILESC=C(CCc1ccccc1)NC.CC
InChIInChI=1S/C11H15N.C2H6/c1-10(12-2)8-9-11-6-4-3-5-7-11;1-2/h3-7,12H,1,8-9H2,2H3;1-2H3
InChIKeyQHJCZPDFQMMAAD-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.38
Rot. Bonds4

About ethane;N-methyl-4-phenylbut-1-en-2-amine

ethane;N-methyl-4-phenylbut-1-en-2-amine (PubChem CID 143280576) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is ethane;N-methyl-4-phenylbut-1-en-2-amine.

Molecular Properties

Compound Nameethane;N-methyl-4-phenylbut-1-en-2-amine
PubChem CID143280576
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Nameethane;N-methyl-4-phenylbut-1-en-2-amine
SMILESC=C(CCc1ccccc1)NC.CC
InChIInChI=1S/C11H15N.C2H6/c1-10(12-2)8-9-11-6-4-3-5-7-11;1-2/h3-7,12H,1,8-9H2,2H3;1-2H3
InChIKeyQHJCZPDFQMMAAD-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-(4-phenylbut-1-en-2-yl)pentan-1-amine
CID 134189171
2-[2-[3-(methylamino)but-3-enyl]phenyl]ethanethiol
CID 170232845
ethane;methane;2-phenylethylbenzene
CID 158652330
N-(2-methylprop-2-enyl)-5-phenylpent-1-en-2-amine
CID 172569226
ethane;3-phenylpropanoyl chloride
CID 90742356
4-methylidene-6-phenylhexan-3-one
CID 13485260
[(E)-3-methylidenehex-4-enyl]benzene
CID 15074252
N-(2-methylprop-2-enyl)-3-phenylpropanamide
CID 11469759
N-(2-methoxyethoxy)-3-phenylpropanamide
CID 79676400
N-methyl-9-phenylnonanamide
CID 118028570
N-methyl-4-[4-(4-phenylbutyl)phenyl]butanamide
CID 58974296
ethane;ethene;2-N-(4-phenylbut-1-en-2-yl)bicyclo[5.1.0]oct-3-ene-2,5-diamine
CID 143745430

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-4-phenylbut-1-en-2-amine?
The IUPAC name of ethane;N-methyl-4-phenylbut-1-en-2-amine (CID 143280576) is ethane;N-methyl-4-phenylbut-1-en-2-amine.
What is the SMILES notation for ethane;N-methyl-4-phenylbut-1-en-2-amine?
The canonical SMILES for ethane;N-methyl-4-phenylbut-1-en-2-amine is C=C(CCc1ccccc1)NC.CC.
What is the InChIKey of ethane;N-methyl-4-phenylbut-1-en-2-amine?
The InChIKey is QHJCZPDFQMMAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C2H6/c1-10(12-2)8-9-11-6-4-3-5-7-11;1-2/h3-7,12H,1,8-9H2,2H3;1-2H3.
What are the key properties of ethane;N-methyl-4-phenylbut-1-en-2-amine?
ethane;N-methyl-4-phenylbut-1-en-2-amine has a molecular weight of 191.32 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-4-phenylbut-1-en-2-amine is sourced from PubChem (CID 143280576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).