2-amino-1,1-bis(3-methylphenyl)-2-naphthalen-2-ylethanol

C26H25NO — CID 23091220

IUPAC2-amino-1,1-bis(3-methylphenyl)-2-naphthalen-2-ylethanol
SMILESCc1cccc(C(O)(c2cccc(C)c2)C(N)c2ccc3ccccc3c2)c1
InChIInChI=1S/C26H25NO/c1-18-7-5-11-23(15-18)26(28,24-12-6-8-19(2)16-24)25(27)22-14-13-20-9-3-4-10-21(20)17-22/h3-17,25,28H,27H2,1-2H3
InChIKeyDRYHTPYNBIQKSW-UHFFFAOYSA-N
MW367.49 g/mol
LogP5.39
Rot. Bonds4

About 2-amino-1,1-bis(3-methylphenyl)-2-naphthalen-2-ylethanol

2-amino-1,1-bis(3-methylphenyl)-2-naphthalen-2-ylethanol (PubChem CID 23091220) has the molecular formula C26H25NO and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-amino-1,1-bis(3-methylphenyl)-2-naphthalen-2-ylethanol.

Molecular Properties

Compound Name2-amino-1,1-bis(3-methylphenyl)-2-naphthalen-2-ylethanol
PubChem CID23091220
Molecular FormulaC26H25NO
Molecular Weight367.49 g/mol
Exact Mass367.19
IUPAC Name2-amino-1,1-bis(3-methylphenyl)-2-naphthalen-2-ylethanol
SMILESCc1cccc(C(O)(c2cccc(C)c2)C(N)c2ccc3ccccc3c2)c1
InChIInChI=1S/C26H25NO/c1-18-7-5-11-23(15-18)26(28,24-12-6-8-19(2)16-24)25(27)22-14-13-20-9-3-4-10-21(20)17-22/h3-17,25,28H,27H2,1-2H3
InChIKeyDRYHTPYNBIQKSW-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(3-methylphenyl)-2-naphthalen-2-ylethanol?
The IUPAC name of 2-amino-1,1-bis(3-methylphenyl)-2-naphthalen-2-ylethanol (CID 23091220) is 2-amino-1,1-bis(3-methylphenyl)-2-naphthalen-2-ylethanol.
What is the SMILES notation for 2-amino-1,1-bis(3-methylphenyl)-2-naphthalen-2-ylethanol?
The canonical SMILES for 2-amino-1,1-bis(3-methylphenyl)-2-naphthalen-2-ylethanol is Cc1cccc(C(O)(c2cccc(C)c2)C(N)c2ccc3ccccc3c2)c1.
What is the InChIKey of 2-amino-1,1-bis(3-methylphenyl)-2-naphthalen-2-ylethanol?
The InChIKey is DRYHTPYNBIQKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO/c1-18-7-5-11-23(15-18)26(28,24-12-6-8-19(2)16-24)25(27)22-14-13-20-9-3-4-10-21(20)17-22/h3-17,25,28H,27H2,1-2H3.
What are the key properties of 2-amino-1,1-bis(3-methylphenyl)-2-naphthalen-2-ylethanol?
2-amino-1,1-bis(3-methylphenyl)-2-naphthalen-2-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(3-methylphenyl)-2-naphthalen-2-ylethanol is sourced from PubChem (CID 23091220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).