2-(2-amino-5-bromophenyl)-2-(3-methylcyclohexyl)acetic acid

C15H20BrNO2 — CID 106987383

IUPAC2-(2-amino-5-bromophenyl)-2-(3-methylcyclohexyl)acetic acid
SMILESCC1CCCC(C(C(=O)O)c2cc(Br)ccc2N)C1
InChIInChI=1S/C15H20BrNO2/c1-9-3-2-4-10(7-9)14(15(18)19)12-8-11(16)5-6-13(12)17/h5-6,8-10,14H,2-4,7,17H2,1H3,(H,18,19)
InChIKeyOMJCKYFUMDPGJH-UHFFFAOYSA-N
MW326.23 g/mol
LogP4.03
Rot. Bonds3

About 2-(2-amino-5-bromophenyl)-2-(3-methylcyclohexyl)acetic acid

2-(2-amino-5-bromophenyl)-2-(3-methylcyclohexyl)acetic acid (PubChem CID 106987383) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 2-(2-amino-5-bromophenyl)-2-(3-methylcyclohexyl)acetic acid.

Molecular Properties

Compound Name2-(2-amino-5-bromophenyl)-2-(3-methylcyclohexyl)acetic acid
PubChem CID106987383
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name2-(2-amino-5-bromophenyl)-2-(3-methylcyclohexyl)acetic acid
SMILESCC1CCCC(C(C(=O)O)c2cc(Br)ccc2N)C1
InChIInChI=1S/C15H20BrNO2/c1-9-3-2-4-10(7-9)14(15(18)19)12-8-11(16)5-6-13(12)17/h5-6,8-10,14H,2-4,7,17H2,1H3,(H,18,19)
InChIKeyOMJCKYFUMDPGJH-UHFFFAOYSA-N
XLogP4.03
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-5-bromophenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 82703710
2-(2-amino-5-tert-butylphenyl)-2-cyclopropylacetic acid
CID 106987356
(2S)-2-(4-bromo-2-fluorophenyl)-2-cyclopentylacetic acid
CID 125466606
2-[2-amino-5-(trifluoromethoxy)phenyl]-2-cyclopentylacetic acid
CID 106987927
2-(5-bromo-2-chlorophenyl)-2-cyclopropylacetic acid
CID 175668562
4-bromo-2-[cyclobutyl(hydrazinyl)methyl]aniline
CID 105263606
2-[2-amino-3-(trifluoromethyl)phenyl]-2-(3-methylcyclopentyl)acetic acid
CID 106987747
2-(2-amino-5-chlorophenyl)-2-(4,4-dimethylcyclohexyl)acetic acid
CID 106987726
(2S)-2-[(1S,3R)-3-methylcyclohexyl]propanoic acid
CID 178159874
2-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-methylcyclopentyl)acetic acid
CID 106987548
4-bromo-1-N-(3-methylcyclohexyl)benzene-1,2-diamine
CID 43317802
1-(4-bromo-2-methylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 104991936

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-bromophenyl)-2-(3-methylcyclohexyl)acetic acid?
The IUPAC name of 2-(2-amino-5-bromophenyl)-2-(3-methylcyclohexyl)acetic acid (CID 106987383) is 2-(2-amino-5-bromophenyl)-2-(3-methylcyclohexyl)acetic acid.
What is the SMILES notation for 2-(2-amino-5-bromophenyl)-2-(3-methylcyclohexyl)acetic acid?
The canonical SMILES for 2-(2-amino-5-bromophenyl)-2-(3-methylcyclohexyl)acetic acid is CC1CCCC(C(C(=O)O)c2cc(Br)ccc2N)C1.
What is the InChIKey of 2-(2-amino-5-bromophenyl)-2-(3-methylcyclohexyl)acetic acid?
The InChIKey is OMJCKYFUMDPGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-9-3-2-4-10(7-9)14(15(18)19)12-8-11(16)5-6-13(12)17/h5-6,8-10,14H,2-4,7,17H2,1H3,(H,18,19).
What are the key properties of 2-(2-amino-5-bromophenyl)-2-(3-methylcyclohexyl)acetic acid?
2-(2-amino-5-bromophenyl)-2-(3-methylcyclohexyl)acetic acid has a molecular weight of 326.23 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-bromophenyl)-2-(3-methylcyclohexyl)acetic acid is sourced from PubChem (CID 106987383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).