2-(4-bromophenyl)ethyl-(2,2-dimethylpropyl)carbamic acid

C14H20BrNO2 — CID 67194678

IUPAC2-(4-bromophenyl)ethyl-(2,2-dimethylpropyl)carbamic acid
SMILESCC(C)(C)CN(CCc1ccc(Br)cc1)C(=O)O
InChIInChI=1S/C14H20BrNO2/c1-14(2,3)10-16(13(17)18)9-8-11-4-6-12(15)7-5-11/h4-7H,8-10H2,1-3H3,(H,17,18)
InChIKeySYIBRICPAWDIQG-UHFFFAOYSA-N
MW314.22 g/mol
LogP4.02
Rot. Bonds4

About 2-(4-bromophenyl)ethyl-(2,2-dimethylpropyl)carbamic acid

2-(4-bromophenyl)ethyl-(2,2-dimethylpropyl)carbamic acid (PubChem CID 67194678) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)ethyl-(2,2-dimethylpropyl)carbamic acid.

Molecular Properties

Compound Name2-(4-bromophenyl)ethyl-(2,2-dimethylpropyl)carbamic acid
PubChem CID67194678
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-(4-bromophenyl)ethyl-(2,2-dimethylpropyl)carbamic acid
SMILESCC(C)(C)CN(CCc1ccc(Br)cc1)C(=O)O
InChIInChI=1S/C14H20BrNO2/c1-14(2,3)10-16(13(17)18)9-8-11-4-6-12(15)7-5-11/h4-7H,8-10H2,1-3H3,(H,17,18)
InChIKeySYIBRICPAWDIQG-UHFFFAOYSA-N
XLogP4.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)ethyl-(2,2-dimethylpropyl)carbamic acid?
The IUPAC name of 2-(4-bromophenyl)ethyl-(2,2-dimethylpropyl)carbamic acid (CID 67194678) is 2-(4-bromophenyl)ethyl-(2,2-dimethylpropyl)carbamic acid.
What is the SMILES notation for 2-(4-bromophenyl)ethyl-(2,2-dimethylpropyl)carbamic acid?
The canonical SMILES for 2-(4-bromophenyl)ethyl-(2,2-dimethylpropyl)carbamic acid is CC(C)(C)CN(CCc1ccc(Br)cc1)C(=O)O.
What is the InChIKey of 2-(4-bromophenyl)ethyl-(2,2-dimethylpropyl)carbamic acid?
The InChIKey is SYIBRICPAWDIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-14(2,3)10-16(13(17)18)9-8-11-4-6-12(15)7-5-11/h4-7H,8-10H2,1-3H3,(H,17,18).
What are the key properties of 2-(4-bromophenyl)ethyl-(2,2-dimethylpropyl)carbamic acid?
2-(4-bromophenyl)ethyl-(2,2-dimethylpropyl)carbamic acid has a molecular weight of 314.22 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)ethyl-(2,2-dimethylpropyl)carbamic acid is sourced from PubChem (CID 67194678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).