(2,4-ditert-butylphenyl)methanamine

C15H25N — CID 174492091

IUPAC(2,4-ditert-butylphenyl)methanamine
SMILESCC(C)(C)c1ccc(CN)c(C(C)(C)C)c1
InChIInChI=1S/C15H25N/c1-14(2,3)12-8-7-11(10-16)13(9-12)15(4,5)6/h7-9H,10,16H2,1-6H3
InChIKeyQDNCDAWSSJGIIN-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.74
Rot. Bonds1

About (2,4-ditert-butylphenyl)methanamine

(2,4-ditert-butylphenyl)methanamine (PubChem CID 174492091) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is (2,4-ditert-butylphenyl)methanamine.

Molecular Properties

Compound Name(2,4-ditert-butylphenyl)methanamine
PubChem CID174492091
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name(2,4-ditert-butylphenyl)methanamine
SMILESCC(C)(C)c1ccc(CN)c(C(C)(C)C)c1
InChIInChI=1S/C15H25N/c1-14(2,3)12-8-7-11(10-16)13(9-12)15(4,5)6/h7-9H,10,16H2,1-6H3
InChIKeyQDNCDAWSSJGIIN-UHFFFAOYSA-N
XLogP3.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,4-ditert-butylphenyl)methanamine?
The IUPAC name of (2,4-ditert-butylphenyl)methanamine (CID 174492091) is (2,4-ditert-butylphenyl)methanamine.
What is the SMILES notation for (2,4-ditert-butylphenyl)methanamine?
The canonical SMILES for (2,4-ditert-butylphenyl)methanamine is CC(C)(C)c1ccc(CN)c(C(C)(C)C)c1.
What is the InChIKey of (2,4-ditert-butylphenyl)methanamine?
The InChIKey is QDNCDAWSSJGIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-14(2,3)12-8-7-11(10-16)13(9-12)15(4,5)6/h7-9H,10,16H2,1-6H3.
What are the key properties of (2,4-ditert-butylphenyl)methanamine?
(2,4-ditert-butylphenyl)methanamine has a molecular weight of 219.37 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-ditert-butylphenyl)methanamine is sourced from PubChem (CID 174492091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).