2-(4-bromophenyl)-2-(cyclohexylamino)butanoic acid

C16H22BrNO2 — CID 60998177

IUPAC2-(4-bromophenyl)-2-(cyclohexylamino)butanoic acid
SMILESCCC(NC1CCCCC1)(C(=O)O)c1ccc(Br)cc1
InChIInChI=1S/C16H22BrNO2/c1-2-16(15(19)20,12-8-10-13(17)11-9-12)18-14-6-4-3-5-7-14/h8-11,14,18H,2-7H2,1H3,(H,19,20)
InChIKeyUARYNIWTKVSUAM-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.06
Rot. Bonds5

About 2-(4-bromophenyl)-2-(cyclohexylamino)butanoic acid

2-(4-bromophenyl)-2-(cyclohexylamino)butanoic acid (PubChem CID 60998177) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-(cyclohexylamino)butanoic acid.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-(cyclohexylamino)butanoic acid
PubChem CID60998177
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name2-(4-bromophenyl)-2-(cyclohexylamino)butanoic acid
SMILESCCC(NC1CCCCC1)(C(=O)O)c1ccc(Br)cc1
InChIInChI=1S/C16H22BrNO2/c1-2-16(15(19)20,12-8-10-13(17)11-9-12)18-14-6-4-3-5-7-14/h8-11,14,18H,2-7H2,1H3,(H,19,20)
InChIKeyUARYNIWTKVSUAM-UHFFFAOYSA-N
XLogP4.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylamino)-2-(4-methylphenyl)butanoic acid
CID 60998424
2-(cycloheptylamino)-2-(4-hydroxyphenyl)butanoic acid
CID 60997387
2-(cyclohexylamino)-2-phenylbutanoic acid
CID 60997703
methyl 2-(cyclopentylamino)-2-(4-methylphenyl)butanoate
CID 60999109
2-(cyclopentylamino)-2-(4-ethylphenyl)butanamide
CID 60997547
methyl 2-(4-bromophenyl)-2-(cyclohexylamino)propanoate
CID 60998554
2-(cyclopentylamino)-2-(4-methoxyphenyl)butanamide
CID 60998135
methyl 2-(4-bromophenyl)-2-(cyclopropylmethylamino)butanoate
CID 54894117
2-(cycloheptylamino)-2-(3-fluorophenyl)butanamide
CID 114871995
2-(3-chlorophenyl)-2-(cycloheptylamino)butanamide
CID 60998078
4-bromo-N-cycloheptylbenzamide
CID 2843132
4-bromo-N-cyclooctylbenzamide
CID 902872

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-(cyclohexylamino)butanoic acid?
The IUPAC name of 2-(4-bromophenyl)-2-(cyclohexylamino)butanoic acid (CID 60998177) is 2-(4-bromophenyl)-2-(cyclohexylamino)butanoic acid.
What is the SMILES notation for 2-(4-bromophenyl)-2-(cyclohexylamino)butanoic acid?
The canonical SMILES for 2-(4-bromophenyl)-2-(cyclohexylamino)butanoic acid is CCC(NC1CCCCC1)(C(=O)O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-(cyclohexylamino)butanoic acid?
The InChIKey is UARYNIWTKVSUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-2-16(15(19)20,12-8-10-13(17)11-9-12)18-14-6-4-3-5-7-14/h8-11,14,18H,2-7H2,1H3,(H,19,20).
What are the key properties of 2-(4-bromophenyl)-2-(cyclohexylamino)butanoic acid?
2-(4-bromophenyl)-2-(cyclohexylamino)butanoic acid has a molecular weight of 340.26 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-(cyclohexylamino)butanoic acid is sourced from PubChem (CID 60998177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).