4-[bis(2-methylpropyl)amino]-1,1-bis(4-bromophenyl)butan-1-ol

C24H33Br2NO — CID 19909924

IUPAC4-[bis(2-methylpropyl)amino]-1,1-bis(4-bromophenyl)butan-1-ol
SMILESCC(C)CN(CCCC(O)(c1ccc(Br)cc1)c1ccc(Br)cc1)CC(C)C
InChIInChI=1S/C24H33Br2NO/c1-18(2)16-27(17-19(3)4)15-5-14-24(28,20-6-10-22(25)11-7-20)21-8-12-23(26)13-9-21/h6-13,18-19,28H,5,14-17H2,1-4H3
InChIKeyQWSYGEMXDZYQLP-UHFFFAOYSA-N
MW511.34 g/mol
LogP6.84
Rot. Bonds10

About 4-[bis(2-methylpropyl)amino]-1,1-bis(4-bromophenyl)butan-1-ol

4-[bis(2-methylpropyl)amino]-1,1-bis(4-bromophenyl)butan-1-ol (PubChem CID 19909924) has the molecular formula C24H33Br2NO and a molecular weight of 511.34 g/mol. Its IUPAC name is 4-[bis(2-methylpropyl)amino]-1,1-bis(4-bromophenyl)butan-1-ol.

Molecular Properties

Compound Name4-[bis(2-methylpropyl)amino]-1,1-bis(4-bromophenyl)butan-1-ol
PubChem CID19909924
Molecular FormulaC24H33Br2NO
Molecular Weight511.34 g/mol
Exact Mass509.09
IUPAC Name4-[bis(2-methylpropyl)amino]-1,1-bis(4-bromophenyl)butan-1-ol
SMILESCC(C)CN(CCCC(O)(c1ccc(Br)cc1)c1ccc(Br)cc1)CC(C)C
InChIInChI=1S/C24H33Br2NO/c1-18(2)16-27(17-19(3)4)15-5-14-24(28,20-6-10-22(25)11-7-20)21-8-12-23(26)13-9-21/h6-13,18-19,28H,5,14-17H2,1-4H3
InChIKeyQWSYGEMXDZYQLP-UHFFFAOYSA-N
XLogP6.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.34
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methylpropyl)amino]-1,1-bis(4-bromophenyl)butan-1-ol?
The IUPAC name of 4-[bis(2-methylpropyl)amino]-1,1-bis(4-bromophenyl)butan-1-ol (CID 19909924) is 4-[bis(2-methylpropyl)amino]-1,1-bis(4-bromophenyl)butan-1-ol.
What is the SMILES notation for 4-[bis(2-methylpropyl)amino]-1,1-bis(4-bromophenyl)butan-1-ol?
The canonical SMILES for 4-[bis(2-methylpropyl)amino]-1,1-bis(4-bromophenyl)butan-1-ol is CC(C)CN(CCCC(O)(c1ccc(Br)cc1)c1ccc(Br)cc1)CC(C)C.
What is the InChIKey of 4-[bis(2-methylpropyl)amino]-1,1-bis(4-bromophenyl)butan-1-ol?
The InChIKey is QWSYGEMXDZYQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33Br2NO/c1-18(2)16-27(17-19(3)4)15-5-14-24(28,20-6-10-22(25)11-7-20)21-8-12-23(26)13-9-21/h6-13,18-19,28H,5,14-17H2,1-4H3.
What are the key properties of 4-[bis(2-methylpropyl)amino]-1,1-bis(4-bromophenyl)butan-1-ol?
4-[bis(2-methylpropyl)amino]-1,1-bis(4-bromophenyl)butan-1-ol has a molecular weight of 511.34 g/mol, XLogP of 6.84, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methylpropyl)amino]-1,1-bis(4-bromophenyl)butan-1-ol is sourced from PubChem (CID 19909924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).