2-amino-1,1-bis(4-methylphenyl)-2-naphthalen-1-ylethanol

C26H25NO — CID 23091392

IUPAC2-amino-1,1-bis(4-methylphenyl)-2-naphthalen-1-ylethanol
SMILESCc1ccc(C(O)(c2ccc(C)cc2)C(N)c2cccc3ccccc23)cc1
InChIInChI=1S/C26H25NO/c1-18-10-14-21(15-11-18)26(28,22-16-12-19(2)13-17-22)25(27)24-9-5-7-20-6-3-4-8-23(20)24/h3-17,25,28H,27H2,1-2H3
InChIKeyXAQMHFUQNNXRRY-UHFFFAOYSA-N
MW367.49 g/mol
LogP5.39
Rot. Bonds4

About 2-amino-1,1-bis(4-methylphenyl)-2-naphthalen-1-ylethanol

2-amino-1,1-bis(4-methylphenyl)-2-naphthalen-1-ylethanol (PubChem CID 23091392) has the molecular formula C26H25NO and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-amino-1,1-bis(4-methylphenyl)-2-naphthalen-1-ylethanol.

Molecular Properties

Compound Name2-amino-1,1-bis(4-methylphenyl)-2-naphthalen-1-ylethanol
PubChem CID23091392
Molecular FormulaC26H25NO
Molecular Weight367.49 g/mol
Exact Mass367.19
IUPAC Name2-amino-1,1-bis(4-methylphenyl)-2-naphthalen-1-ylethanol
SMILESCc1ccc(C(O)(c2ccc(C)cc2)C(N)c2cccc3ccccc23)cc1
InChIInChI=1S/C26H25NO/c1-18-10-14-21(15-11-18)26(28,22-16-12-19(2)13-17-22)25(27)24-9-5-7-20-6-3-4-8-23(20)24/h3-17,25,28H,27H2,1-2H3
InChIKeyXAQMHFUQNNXRRY-UHFFFAOYSA-N
XLogP5.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,1-bis(4-methylphenyl)-2-naphthalen-1-ylethanol?
The IUPAC name of 2-amino-1,1-bis(4-methylphenyl)-2-naphthalen-1-ylethanol (CID 23091392) is 2-amino-1,1-bis(4-methylphenyl)-2-naphthalen-1-ylethanol.
What is the SMILES notation for 2-amino-1,1-bis(4-methylphenyl)-2-naphthalen-1-ylethanol?
The canonical SMILES for 2-amino-1,1-bis(4-methylphenyl)-2-naphthalen-1-ylethanol is Cc1ccc(C(O)(c2ccc(C)cc2)C(N)c2cccc3ccccc23)cc1.
What is the InChIKey of 2-amino-1,1-bis(4-methylphenyl)-2-naphthalen-1-ylethanol?
The InChIKey is XAQMHFUQNNXRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO/c1-18-10-14-21(15-11-18)26(28,22-16-12-19(2)13-17-22)25(27)24-9-5-7-20-6-3-4-8-23(20)24/h3-17,25,28H,27H2,1-2H3.
What are the key properties of 2-amino-1,1-bis(4-methylphenyl)-2-naphthalen-1-ylethanol?
2-amino-1,1-bis(4-methylphenyl)-2-naphthalen-1-ylethanol has a molecular weight of 367.49 g/mol, XLogP of 5.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,1-bis(4-methylphenyl)-2-naphthalen-1-ylethanol is sourced from PubChem (CID 23091392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).