(2-tert-butyl-3-ethenylphenyl)methanamine

C13H19N — CID 175177636

IUPAC(2-tert-butyl-3-ethenylphenyl)methanamine
SMILESC=Cc1cccc(CN)c1C(C)(C)C
InChIInChI=1S/C13H19N/c1-5-10-7-6-8-11(9-14)12(10)13(2,3)4/h5-8H,1,9,14H2,2-4H3
InChIKeyCCFVJFHMKVDDAD-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.09
Rot. Bonds2

About (2-tert-butyl-3-ethenylphenyl)methanamine

(2-tert-butyl-3-ethenylphenyl)methanamine (PubChem CID 175177636) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (2-tert-butyl-3-ethenylphenyl)methanamine.

Molecular Properties

Compound Name(2-tert-butyl-3-ethenylphenyl)methanamine
PubChem CID175177636
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(2-tert-butyl-3-ethenylphenyl)methanamine
SMILESC=Cc1cccc(CN)c1C(C)(C)C
InChIInChI=1S/C13H19N/c1-5-10-7-6-8-11(9-14)12(10)13(2,3)4/h5-8H,1,9,14H2,2-4H3
InChIKeyCCFVJFHMKVDDAD-UHFFFAOYSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-3-ethenylphenyl)methanamine?
The IUPAC name of (2-tert-butyl-3-ethenylphenyl)methanamine (CID 175177636) is (2-tert-butyl-3-ethenylphenyl)methanamine.
What is the SMILES notation for (2-tert-butyl-3-ethenylphenyl)methanamine?
The canonical SMILES for (2-tert-butyl-3-ethenylphenyl)methanamine is C=Cc1cccc(CN)c1C(C)(C)C.
What is the InChIKey of (2-tert-butyl-3-ethenylphenyl)methanamine?
The InChIKey is CCFVJFHMKVDDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-5-10-7-6-8-11(9-14)12(10)13(2,3)4/h5-8H,1,9,14H2,2-4H3.
What are the key properties of (2-tert-butyl-3-ethenylphenyl)methanamine?
(2-tert-butyl-3-ethenylphenyl)methanamine has a molecular weight of 189.30 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-3-ethenylphenyl)methanamine is sourced from PubChem (CID 175177636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).