(4-tert-butylphenyl)methanamine

C11H17N — CID 2735655

IUPAC(4-tert-butylphenyl)methanamine
SMILESCC(C)(C)c1ccc(CN)cc1
InChIInChI=1S/C11H17N/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,8,12H2,1-3H3
InChIKeyMPWSRGAWRAYBJK-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.44
Rot. Bonds1

About (4-tert-butylphenyl)methanamine

(4-tert-butylphenyl)methanamine (PubChem CID 2735655) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (4-tert-butylphenyl)methanamine.

Molecular Properties

Compound Name(4-tert-butylphenyl)methanamine
PubChem CID2735655
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(4-tert-butylphenyl)methanamine
SMILESCC(C)(C)c1ccc(CN)cc1
InChIInChI=1S/C11H17N/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,8,12H2,1-3H3
InChIKeyMPWSRGAWRAYBJK-UHFFFAOYSA-N
XLogP2.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)methanamine?
The IUPAC name of (4-tert-butylphenyl)methanamine (CID 2735655) is (4-tert-butylphenyl)methanamine.
What is the SMILES notation for (4-tert-butylphenyl)methanamine?
The canonical SMILES for (4-tert-butylphenyl)methanamine is CC(C)(C)c1ccc(CN)cc1.
What is the InChIKey of (4-tert-butylphenyl)methanamine?
The InChIKey is MPWSRGAWRAYBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,8,12H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)methanamine?
(4-tert-butylphenyl)methanamine has a molecular weight of 163.26 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)methanamine is sourced from PubChem (CID 2735655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).