[2-[1-(dimethylamino)ethyl]phenyl]-(2,4-dimethylphenyl)-phenylmethanol

C25H29NO — CID 2854345

IUPAC[2-[1-(dimethylamino)ethyl]phenyl]-(2,4-dimethylphenyl)-phenylmethanol
SMILESCc1ccc(C(O)(c2ccccc2)c2ccccc2C(C)N(C)C)c(C)c1
InChIInChI=1S/C25H29NO/c1-18-15-16-23(19(2)17-18)25(27,21-11-7-6-8-12-21)24-14-10-9-13-22(24)20(3)26(4)5/h6-17,20,27H,1-5H3
InChIKeyCBZLKJDOSMRWOF-UHFFFAOYSA-N
MW359.51 g/mol
LogP5.21
Rot. Bonds5

About [2-[1-(dimethylamino)ethyl]phenyl]-(2,4-dimethylphenyl)-phenylmethanol

[2-[1-(dimethylamino)ethyl]phenyl]-(2,4-dimethylphenyl)-phenylmethanol (PubChem CID 2854345) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is [2-[1-(dimethylamino)ethyl]phenyl]-(2,4-dimethylphenyl)-phenylmethanol.

Molecular Properties

Compound Name[2-[1-(dimethylamino)ethyl]phenyl]-(2,4-dimethylphenyl)-phenylmethanol
PubChem CID2854345
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC Name[2-[1-(dimethylamino)ethyl]phenyl]-(2,4-dimethylphenyl)-phenylmethanol
SMILESCc1ccc(C(O)(c2ccccc2)c2ccccc2C(C)N(C)C)c(C)c1
InChIInChI=1S/C25H29NO/c1-18-15-16-23(19(2)17-18)25(27,21-11-7-6-8-12-21)24-14-10-9-13-22(24)20(3)26(4)5/h6-17,20,27H,1-5H3
InChIKeyCBZLKJDOSMRWOF-UHFFFAOYSA-N
XLogP5.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(dimethylamino)ethyl]phenyl]-(2,4-dimethylphenyl)-phenylmethanol?
The IUPAC name of [2-[1-(dimethylamino)ethyl]phenyl]-(2,4-dimethylphenyl)-phenylmethanol (CID 2854345) is [2-[1-(dimethylamino)ethyl]phenyl]-(2,4-dimethylphenyl)-phenylmethanol.
What is the SMILES notation for [2-[1-(dimethylamino)ethyl]phenyl]-(2,4-dimethylphenyl)-phenylmethanol?
The canonical SMILES for [2-[1-(dimethylamino)ethyl]phenyl]-(2,4-dimethylphenyl)-phenylmethanol is Cc1ccc(C(O)(c2ccccc2)c2ccccc2C(C)N(C)C)c(C)c1.
What is the InChIKey of [2-[1-(dimethylamino)ethyl]phenyl]-(2,4-dimethylphenyl)-phenylmethanol?
The InChIKey is CBZLKJDOSMRWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO/c1-18-15-16-23(19(2)17-18)25(27,21-11-7-6-8-12-21)24-14-10-9-13-22(24)20(3)26(4)5/h6-17,20,27H,1-5H3.
What are the key properties of [2-[1-(dimethylamino)ethyl]phenyl]-(2,4-dimethylphenyl)-phenylmethanol?
[2-[1-(dimethylamino)ethyl]phenyl]-(2,4-dimethylphenyl)-phenylmethanol has a molecular weight of 359.51 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(dimethylamino)ethyl]phenyl]-(2,4-dimethylphenyl)-phenylmethanol is sourced from PubChem (CID 2854345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).