2-[(4-tert-butylphenyl)-phenylmethoxy]-2-phenylethanamine

C25H29NO — CID 46230929

IUPAC2-[(4-tert-butylphenyl)-phenylmethoxy]-2-phenylethanamine
SMILESCC(C)(C)c1ccc(C(OC(CN)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H29NO/c1-25(2,3)22-16-14-21(15-17-22)24(20-12-8-5-9-13-20)27-23(18-26)19-10-6-4-7-11-19/h4-17,23-24H,18,26H2,1-3H3
InChIKeyFUAZOBTVSMDITA-UHFFFAOYSA-N
MW359.51 g/mol
LogP5.79
Rot. Bonds6

About 2-[(4-tert-butylphenyl)-phenylmethoxy]-2-phenylethanamine

2-[(4-tert-butylphenyl)-phenylmethoxy]-2-phenylethanamine (PubChem CID 46230929) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)-phenylmethoxy]-2-phenylethanamine.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)-phenylmethoxy]-2-phenylethanamine
PubChem CID46230929
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC Name2-[(4-tert-butylphenyl)-phenylmethoxy]-2-phenylethanamine
SMILESCC(C)(C)c1ccc(C(OC(CN)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H29NO/c1-25(2,3)22-16-14-21(15-17-22)24(20-12-8-5-9-13-20)27-23(18-26)19-10-6-4-7-11-19/h4-17,23-24H,18,26H2,1-3H3
InChIKeyFUAZOBTVSMDITA-UHFFFAOYSA-N
XLogP5.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)-phenylmethoxy]-2-phenylethanamine?
The IUPAC name of 2-[(4-tert-butylphenyl)-phenylmethoxy]-2-phenylethanamine (CID 46230929) is 2-[(4-tert-butylphenyl)-phenylmethoxy]-2-phenylethanamine.
What is the SMILES notation for 2-[(4-tert-butylphenyl)-phenylmethoxy]-2-phenylethanamine?
The canonical SMILES for 2-[(4-tert-butylphenyl)-phenylmethoxy]-2-phenylethanamine is CC(C)(C)c1ccc(C(OC(CN)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)-phenylmethoxy]-2-phenylethanamine?
The InChIKey is FUAZOBTVSMDITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO/c1-25(2,3)22-16-14-21(15-17-22)24(20-12-8-5-9-13-20)27-23(18-26)19-10-6-4-7-11-19/h4-17,23-24H,18,26H2,1-3H3.
What are the key properties of 2-[(4-tert-butylphenyl)-phenylmethoxy]-2-phenylethanamine?
2-[(4-tert-butylphenyl)-phenylmethoxy]-2-phenylethanamine has a molecular weight of 359.51 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)-phenylmethoxy]-2-phenylethanamine is sourced from PubChem (CID 46230929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).