(E,2R)-4-(4-methylphenyl)but-3-en-2-amine

C11H15N — CID 96955830

IUPAC(E,2R)-4-(4-methylphenyl)but-3-en-2-amine
SMILESCc1ccc(/C=C/[C@@H](C)N)cc1
InChIInChI=1S/C11H15N/c1-9-3-6-11(7-4-9)8-5-10(2)12/h3-8,10H,12H2,1-2H3/b8-5+/t10-/m1/s1
InChIKeyNUDPVYMIMHMKBU-VHODGJRUSA-N
MW161.25 g/mol
LogP2.36
Rot. Bonds2

About (E,2R)-4-(4-methylphenyl)but-3-en-2-amine

(E,2R)-4-(4-methylphenyl)but-3-en-2-amine (PubChem CID 96955830) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (E,2R)-4-(4-methylphenyl)but-3-en-2-amine.

Molecular Properties

Compound Name(E,2R)-4-(4-methylphenyl)but-3-en-2-amine
PubChem CID96955830
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(E,2R)-4-(4-methylphenyl)but-3-en-2-amine
SMILESCc1ccc(/C=C/[C@@H](C)N)cc1
InChIInChI=1S/C11H15N/c1-9-3-6-11(7-4-9)8-5-10(2)12/h3-8,10H,12H2,1-2H3/b8-5+/t10-/m1/s1
InChIKeyNUDPVYMIMHMKBU-VHODGJRUSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-4-(4-phenylphenyl)but-3-en-2-amine
CID 83350140
4-(4-chlorophenyl)but-3-en-2-amine
CID 67270933
(2R)-4-(4-methylphenyl)but-3-en-2-ol
CID 131852428
(E)-1-(4-methylphenyl)pent-1-en-3-amine
CID 10583398
(E)-4-(4-bromo-3-methylphenyl)but-3-en-2-amine
CID 103091622
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
tris(dimethylamino)-[(E)-2-(4-methylphenyl)ethenyl]phosphanium chloride
CID 11726818
[(2S)-2-methyl-4-(4-methylphenyl)but-3-enyl] acetate
CID 174059188
1-methyl-4-[(1Z)-1-(4-methylphenyl)penta-1,4-dien-3-yl]benzene
CID 147064601
1-methyl-4-[(E,2R)-4-phenylbut-3-en-2-yl]benzene
CID 102584248
(E)-4-(3,5-difluorophenyl)but-3-en-2-amine
CID 83349986

Frequently Asked Questions

What is the IUPAC name of (E,2R)-4-(4-methylphenyl)but-3-en-2-amine?
The IUPAC name of (E,2R)-4-(4-methylphenyl)but-3-en-2-amine (CID 96955830) is (E,2R)-4-(4-methylphenyl)but-3-en-2-amine.
What is the SMILES notation for (E,2R)-4-(4-methylphenyl)but-3-en-2-amine?
The canonical SMILES for (E,2R)-4-(4-methylphenyl)but-3-en-2-amine is Cc1ccc(/C=C/[C@@H](C)N)cc1.
What is the InChIKey of (E,2R)-4-(4-methylphenyl)but-3-en-2-amine?
The InChIKey is NUDPVYMIMHMKBU-VHODGJRUSA-N. The full InChI is InChI=1S/C11H15N/c1-9-3-6-11(7-4-9)8-5-10(2)12/h3-8,10H,12H2,1-2H3/b8-5+/t10-/m1/s1.
What are the key properties of (E,2R)-4-(4-methylphenyl)but-3-en-2-amine?
(E,2R)-4-(4-methylphenyl)but-3-en-2-amine has a molecular weight of 161.25 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-4-(4-methylphenyl)but-3-en-2-amine is sourced from PubChem (CID 96955830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).