1-(4-tert-butylphenyl)-N-methylmethanamine

C12H19N — CID 2396874

IUPAC1-(4-tert-butylphenyl)-N-methylmethanamine
SMILESCNCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C12H19N/c1-12(2,3)11-7-5-10(6-8-11)9-13-4/h5-8,13H,9H2,1-4H3
InChIKeyZSHCHOYJMLEAOX-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.70
Rot. Bonds2

About 1-(4-tert-butylphenyl)-N-methylmethanamine

1-(4-tert-butylphenyl)-N-methylmethanamine (PubChem CID 2396874) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-methylmethanamine
PubChem CID2396874
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-(4-tert-butylphenyl)-N-methylmethanamine
SMILESCNCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C12H19N/c1-12(2,3)11-7-5-10(6-8-11)9-13-4/h5-8,13H,9H2,1-4H3
InChIKeyZSHCHOYJMLEAOX-UHFFFAOYSA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-methylmethanamine (CID 2396874) is 1-(4-tert-butylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-methylmethanamine is CNCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-methylmethanamine?
The InChIKey is ZSHCHOYJMLEAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-12(2,3)11-7-5-10(6-8-11)9-13-4/h5-8,13H,9H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-methylmethanamine?
1-(4-tert-butylphenyl)-N-methylmethanamine has a molecular weight of 177.29 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-methylmethanamine is sourced from PubChem (CID 2396874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).