(4-tert-butylphenyl)methanamine;hydrochloride

C11H18ClN — CID 16637809

IUPAC(4-tert-butylphenyl)methanamine;hydrochloride
SMILESCC(C)(C)c1ccc(CN)cc1.Cl
InChIInChI=1S/C11H17N.ClH/c1-11(2,3)10-6-4-9(8-12)5-7-10;/h4-7H,8,12H2,1-3H3;1H
InChIKeyMARHPSYFKRETIW-UHFFFAOYSA-N
MW199.72 g/mol
LogP2.86
Rot. Bonds1

About (4-tert-butylphenyl)methanamine;hydrochloride

(4-tert-butylphenyl)methanamine;hydrochloride (PubChem CID 16637809) has the molecular formula C11H18ClN and a molecular weight of 199.72 g/mol. Its IUPAC name is (4-tert-butylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-tert-butylphenyl)methanamine;hydrochloride
PubChem CID16637809
Molecular FormulaC11H18ClN
Molecular Weight199.72 g/mol
Exact Mass199.11
IUPAC Name(4-tert-butylphenyl)methanamine;hydrochloride
SMILESCC(C)(C)c1ccc(CN)cc1.Cl
InChIInChI=1S/C11H17N.ClH/c1-11(2,3)10-6-4-9(8-12)5-7-10;/h4-7H,8,12H2,1-3H3;1H
InChIKeyMARHPSYFKRETIW-UHFFFAOYSA-N
XLogP2.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.72
LogP ≤ 52.86
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;hydrochloride?
The IUPAC name of (4-tert-butylphenyl)methanamine;hydrochloride (CID 16637809) is (4-tert-butylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (4-tert-butylphenyl)methanamine;hydrochloride?
The canonical SMILES for (4-tert-butylphenyl)methanamine;hydrochloride is CC(C)(C)c1ccc(CN)cc1.Cl.
What is the InChIKey of (4-tert-butylphenyl)methanamine;hydrochloride?
The InChIKey is MARHPSYFKRETIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.ClH/c1-11(2,3)10-6-4-9(8-12)5-7-10;/h4-7H,8,12H2,1-3H3;1H.
What are the key properties of (4-tert-butylphenyl)methanamine;hydrochloride?
(4-tert-butylphenyl)methanamine;hydrochloride has a molecular weight of 199.72 g/mol, XLogP of 2.86, 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;hydrochloride is sourced from PubChem (CID 16637809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).