(E)-3-methyl-4-(3-methylphenyl)but-3-en-2-amine

C12H17N — CID 103091736

IUPAC(E)-3-methyl-4-(3-methylphenyl)but-3-en-2-amine
SMILESC/C(=C\c1cccc(C)c1)C(C)N
InChIInChI=1S/C12H17N/c1-9-5-4-6-12(7-9)8-10(2)11(3)13/h4-8,11H,13H2,1-3H3/b10-8+
InChIKeyXUFBHDDNMGWOGH-CSKARUKUSA-N
MW175.28 g/mol
LogP2.75
Rot. Bonds2

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

(E)-3-methyl-4-(3-methylphenyl)but-3-en-2-amine (PubChem CID 103091736) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is (E)-3-methyl-4-(3-methylphenyl)but-3-en-2-amine.

Molecular Properties

Compound Name(E)-3-methyl-4-(3-methylphenyl)but-3-en-2-amine
PubChem CID103091736
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name(E)-3-methyl-4-(3-methylphenyl)but-3-en-2-amine
SMILESC/C(=C\c1cccc(C)c1)C(C)N
InChIInChI=1S/C12H17N/c1-9-5-4-6-12(7-9)8-10(2)11(3)13/h4-8,11H,13H2,1-3H3/b10-8+
InChIKeyXUFBHDDNMGWOGH-CSKARUKUSA-N
XLogP2.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-methyl-4-(3-methylphenyl)but-3-en-2-one
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(Z)-2-(3-methylphenyl)ethenamine
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(Z)-3-methyl-4-(4-propan-2-ylphenyl)but-3-en-2-amine
CID 103091821
(E)-2-amino-4-(3-methylphenyl)but-3-enoic acid
CID 105444865
3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol
CID 159541553
1-[(Z)-2,3-dibromoprop-1-enyl]-3-methylbenzene
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Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-4-(3-methylphenyl)but-3-en-2-amine?
The IUPAC name of (E)-3-methyl-4-(3-methylphenyl)but-3-en-2-amine (CID 103091736) is (E)-3-methyl-4-(3-methylphenyl)but-3-en-2-amine.
What is the SMILES notation for (E)-3-methyl-4-(3-methylphenyl)but-3-en-2-amine?
The canonical SMILES for (E)-3-methyl-4-(3-methylphenyl)but-3-en-2-amine is C/C(=C\c1cccc(C)c1)C(C)N.
What is the InChIKey of (E)-3-methyl-4-(3-methylphenyl)but-3-en-2-amine?
The InChIKey is XUFBHDDNMGWOGH-CSKARUKUSA-N. The full InChI is InChI=1S/C12H17N/c1-9-5-4-6-12(7-9)8-10(2)11(3)13/h4-8,11H,13H2,1-3H3/b10-8+.
What are the key properties of (E)-3-methyl-4-(3-methylphenyl)but-3-en-2-amine?
(E)-3-methyl-4-(3-methylphenyl)but-3-en-2-amine has a molecular weight of 175.28 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-4-(3-methylphenyl)but-3-en-2-amine is sourced from PubChem (CID 103091736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).