1-(3,5-ditert-butylphenyl)-N-methylmethanamine

C16H27N — CID 59420108

IUPAC1-(3,5-ditert-butylphenyl)-N-methylmethanamine
SMILESCNCc1cc(C(C)(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C16H27N/c1-15(2,3)13-8-12(11-17-7)9-14(10-13)16(4,5)6/h8-10,17H,11H2,1-7H3
InChIKeyJHAMJKAKOAUAND-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.00
Rot. Bonds2

About 1-(3,5-ditert-butylphenyl)-N-methylmethanamine

1-(3,5-ditert-butylphenyl)-N-methylmethanamine (PubChem CID 59420108) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1-(3,5-ditert-butylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-ditert-butylphenyl)-N-methylmethanamine
PubChem CID59420108
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1-(3,5-ditert-butylphenyl)-N-methylmethanamine
SMILESCNCc1cc(C(C)(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C16H27N/c1-15(2,3)13-8-12(11-17-7)9-14(10-13)16(4,5)6/h8-10,17H,11H2,1-7H3
InChIKeyJHAMJKAKOAUAND-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-ditert-butylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3,5-ditert-butylphenyl)-N-methylmethanamine (CID 59420108) is 1-(3,5-ditert-butylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-ditert-butylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,5-ditert-butylphenyl)-N-methylmethanamine is CNCc1cc(C(C)(C)C)cc(C(C)(C)C)c1.
What is the InChIKey of 1-(3,5-ditert-butylphenyl)-N-methylmethanamine?
The InChIKey is JHAMJKAKOAUAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-15(2,3)13-8-12(11-17-7)9-14(10-13)16(4,5)6/h8-10,17H,11H2,1-7H3.
What are the key properties of 1-(3,5-ditert-butylphenyl)-N-methylmethanamine?
1-(3,5-ditert-butylphenyl)-N-methylmethanamine has a molecular weight of 233.40 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-ditert-butylphenyl)-N-methylmethanamine is sourced from PubChem (CID 59420108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).