(1R)-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine;hydrochloride

C26H34ClN — CID 72708872

IUPAC(1R)-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine;hydrochloride
SMILESCc1cc(C(C)(C)C)cc(C)c1CN(C)[C@H](C)c1cccc2ccccc12.Cl
InChIInChI=1S/C26H33N.ClH/c1-18-15-22(26(4,5)6)16-19(2)25(18)17-27(7)20(3)23-14-10-12-21-11-8-9-13-24(21)23;/h8-16,20H,17H2,1-7H3;1H/t20-;/m1./s1
InChIKeyKRWFXBYWFPWHKD-VEIFNGETSA-N
MW396.02 g/mol
LogP7.37
Rot. Bonds4

About (1R)-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine;hydrochloride

(1R)-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine;hydrochloride (PubChem CID 72708872) has the molecular formula C26H34ClN and a molecular weight of 396.02 g/mol. Its IUPAC name is (1R)-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine;hydrochloride
PubChem CID72708872
Molecular FormulaC26H34ClN
Molecular Weight396.02 g/mol
Exact Mass395.24
IUPAC Name(1R)-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine;hydrochloride
SMILESCc1cc(C(C)(C)C)cc(C)c1CN(C)[C@H](C)c1cccc2ccccc12.Cl
InChIInChI=1S/C26H33N.ClH/c1-18-15-22(26(4,5)6)16-19(2)25(18)17-27(7)20(3)23-14-10-12-21-11-8-9-13-24(21)23;/h8-16,20H,17H2,1-7H3;1H/t20-;/m1./s1
InChIKeyKRWFXBYWFPWHKD-VEIFNGETSA-N
XLogP7.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.02
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine;hydrochloride?
The IUPAC name of (1R)-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine;hydrochloride (CID 72708872) is (1R)-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine;hydrochloride.
What is the SMILES notation for (1R)-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine;hydrochloride?
The canonical SMILES for (1R)-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine;hydrochloride is Cc1cc(C(C)(C)C)cc(C)c1CN(C)[C@H](C)c1cccc2ccccc12.Cl.
What is the InChIKey of (1R)-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine;hydrochloride?
The InChIKey is KRWFXBYWFPWHKD-VEIFNGETSA-N. The full InChI is InChI=1S/C26H33N.ClH/c1-18-15-22(26(4,5)6)16-19(2)25(18)17-27(7)20(3)23-14-10-12-21-11-8-9-13-24(21)23;/h8-16,20H,17H2,1-7H3;1H/t20-;/m1./s1.
What are the key properties of (1R)-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine;hydrochloride?
(1R)-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine;hydrochloride has a molecular weight of 396.02 g/mol, XLogP of 7.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-N-methyl-1-naphthalen-1-ylethanamine;hydrochloride is sourced from PubChem (CID 72708872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).