(Z)-2-methyl-1-phenylbut-1-en-1-amine

C11H15N — CID 59256897

IUPAC(Z)-2-methyl-1-phenylbut-1-en-1-amine
SMILESCC/C(C)=C(\N)c1ccccc1
InChIInChI=1S/C11H15N/c1-3-9(2)11(12)10-7-5-4-6-8-10/h4-8H,3,12H2,1-2H3/b11-9-
InChIKeyXHWGQNIREGZYMQ-LUAWRHEFSA-N
MW161.25 g/mol
LogP2.79
Rot. Bonds2

About (Z)-2-methyl-1-phenylbut-1-en-1-amine

(Z)-2-methyl-1-phenylbut-1-en-1-amine (PubChem CID 59256897) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (Z)-2-methyl-1-phenylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-methyl-1-phenylbut-1-en-1-amine
PubChem CID59256897
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(Z)-2-methyl-1-phenylbut-1-en-1-amine
SMILESCC/C(C)=C(\N)c1ccccc1
InChIInChI=1S/C11H15N/c1-3-9(2)11(12)10-7-5-4-6-8-10/h4-8H,3,12H2,1-2H3/b11-9-
InChIKeyXHWGQNIREGZYMQ-LUAWRHEFSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-1-phenylbut-1-en-1-amine?
The IUPAC name of (Z)-2-methyl-1-phenylbut-1-en-1-amine (CID 59256897) is (Z)-2-methyl-1-phenylbut-1-en-1-amine.
What is the SMILES notation for (Z)-2-methyl-1-phenylbut-1-en-1-amine?
The canonical SMILES for (Z)-2-methyl-1-phenylbut-1-en-1-amine is CC/C(C)=C(\N)c1ccccc1.
What is the InChIKey of (Z)-2-methyl-1-phenylbut-1-en-1-amine?
The InChIKey is XHWGQNIREGZYMQ-LUAWRHEFSA-N. The full InChI is InChI=1S/C11H15N/c1-3-9(2)11(12)10-7-5-4-6-8-10/h4-8H,3,12H2,1-2H3/b11-9-.
What are the key properties of (Z)-2-methyl-1-phenylbut-1-en-1-amine?
(Z)-2-methyl-1-phenylbut-1-en-1-amine has a molecular weight of 161.25 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-1-phenylbut-1-en-1-amine is sourced from PubChem (CID 59256897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).