[4-(4-bromo-3-methylphenyl)-2,4-dimethylpentan-2-yl] carbamate

C15H22BrNO2 — CID 150894997

IUPAC[4-(4-bromo-3-methylphenyl)-2,4-dimethylpentan-2-yl] carbamate
SMILESCc1cc(C(C)(C)CC(C)(C)OC(N)=O)ccc1Br
InChIInChI=1S/C15H22BrNO2/c1-10-8-11(6-7-12(10)16)14(2,3)9-15(4,5)19-13(17)18/h6-8H,9H2,1-5H3,(H2,17,18)
InChIKeyKYUNQGDTLKGHBE-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.30
Rot. Bonds4

About [4-(4-bromo-3-methylphenyl)-2,4-dimethylpentan-2-yl] carbamate

[4-(4-bromo-3-methylphenyl)-2,4-dimethylpentan-2-yl] carbamate (PubChem CID 150894997) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is [4-(4-bromo-3-methylphenyl)-2,4-dimethylpentan-2-yl] carbamate.

Molecular Properties

Compound Name[4-(4-bromo-3-methylphenyl)-2,4-dimethylpentan-2-yl] carbamate
PubChem CID150894997
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name[4-(4-bromo-3-methylphenyl)-2,4-dimethylpentan-2-yl] carbamate
SMILESCc1cc(C(C)(C)CC(C)(C)OC(N)=O)ccc1Br
InChIInChI=1S/C15H22BrNO2/c1-10-8-11(6-7-12(10)16)14(2,3)9-15(4,5)19-13(17)18/h6-8H,9H2,1-5H3,(H2,17,18)
InChIKeyKYUNQGDTLKGHBE-UHFFFAOYSA-N
XLogP4.30
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3-methylphenyl)-2-methylpropan-1-ol
CID 117359057
1-bromo-4-fluoro-2-methylbenzene;tert-butyl carbamate
CID 174499911
2-(4-bromo-3-methylphenyl)-2,2-difluoroacetamide
CID 130135911
[(4R)-4-(3-bromophenyl)-5-hydroxy-2,4-dimethylpentan-2-yl] carbamate
CID 174673615
1-bromo-2-methyl-4-(2-methyl-1-nitropropan-2-yl)benzene
CID 135351121
2-amino-3-(4-bromo-3-methylanilino)propanamide
CID 103232914
[1-(5-bromo-1,3-benzodioxol-4-yl)-2-methylpropan-2-yl] carbamate
CID 68548890
[4-(4-bromophenyl)-2-methylbutan-2-yl] carbamate
CID 151939532
1-bromo-4-(2-fluoropropan-2-yl)-2-methylbenzene;ethane
CID 176941673
1,1-diphenylethyl carbamate
CID 20976713
2-(4-bromo-3-methylphenyl)-2,2-difluoroethanol
CID 130135914
[1-(4-iodophenyl)-2-methylpropan-2-yl] carbamate
CID 151461309

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromo-3-methylphenyl)-2,4-dimethylpentan-2-yl] carbamate?
The IUPAC name of [4-(4-bromo-3-methylphenyl)-2,4-dimethylpentan-2-yl] carbamate (CID 150894997) is [4-(4-bromo-3-methylphenyl)-2,4-dimethylpentan-2-yl] carbamate.
What is the SMILES notation for [4-(4-bromo-3-methylphenyl)-2,4-dimethylpentan-2-yl] carbamate?
The canonical SMILES for [4-(4-bromo-3-methylphenyl)-2,4-dimethylpentan-2-yl] carbamate is Cc1cc(C(C)(C)CC(C)(C)OC(N)=O)ccc1Br.
What is the InChIKey of [4-(4-bromo-3-methylphenyl)-2,4-dimethylpentan-2-yl] carbamate?
The InChIKey is KYUNQGDTLKGHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-10-8-11(6-7-12(10)16)14(2,3)9-15(4,5)19-13(17)18/h6-8H,9H2,1-5H3,(H2,17,18).
What are the key properties of [4-(4-bromo-3-methylphenyl)-2,4-dimethylpentan-2-yl] carbamate?
[4-(4-bromo-3-methylphenyl)-2,4-dimethylpentan-2-yl] carbamate has a molecular weight of 328.25 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromo-3-methylphenyl)-2,4-dimethylpentan-2-yl] carbamate is sourced from PubChem (CID 150894997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).