2-(2-amino-5-chlorophenyl)-2-(4,4-dimethylcyclohexyl)acetic acid

C16H22ClNO2 — CID 106987726

IUPAC2-(2-amino-5-chlorophenyl)-2-(4,4-dimethylcyclohexyl)acetic acid
SMILESCC1(C)CCC(C(C(=O)O)c2cc(Cl)ccc2N)CC1
InChIInChI=1S/C16H22ClNO2/c1-16(2)7-5-10(6-8-16)14(15(19)20)12-9-11(17)3-4-13(12)18/h3-4,9-10,14H,5-8,18H2,1-2H3,(H,19,20)
InChIKeyATZKRNKFUMXOHC-UHFFFAOYSA-N
MW295.81 g/mol
LogP4.31
Rot. Bonds3

About 2-(2-amino-5-chlorophenyl)-2-(4,4-dimethylcyclohexyl)acetic acid

2-(2-amino-5-chlorophenyl)-2-(4,4-dimethylcyclohexyl)acetic acid (PubChem CID 106987726) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(2-amino-5-chlorophenyl)-2-(4,4-dimethylcyclohexyl)acetic acid.

Molecular Properties

Compound Name2-(2-amino-5-chlorophenyl)-2-(4,4-dimethylcyclohexyl)acetic acid
PubChem CID106987726
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-(2-amino-5-chlorophenyl)-2-(4,4-dimethylcyclohexyl)acetic acid
SMILESCC1(C)CCC(C(C(=O)O)c2cc(Cl)ccc2N)CC1
InChIInChI=1S/C16H22ClNO2/c1-16(2)7-5-10(6-8-16)14(15(19)20)12-9-11(17)3-4-13(12)18/h3-4,9-10,14H,5-8,18H2,1-2H3,(H,19,20)
InChIKeyATZKRNKFUMXOHC-UHFFFAOYSA-N
XLogP4.31
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 54.31
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-(2-amino-5-tert-butylphenyl)-2-cyclopropylacetic acid
CID 106987356
2-(2-amino-5-chlorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetic acid
CID 106987790
2-[(S)-amino(cyclopentyl)methyl]-4-chloroaniline
CID 171233850
2-[(R)-amino(cyclopentyl)methyl]-4-chloroaniline
CID 171214222
2-[2-amino-5-(trifluoromethoxy)phenyl]-2-cyclopentylacetic acid
CID 106987927
2-cyclopropyl-2-(2-fluoro-5-iodophenyl)acetic acid
CID 175669148
2-(2-amino-5-bromophenyl)-2-(3-methylcyclohexyl)acetic acid
CID 106987383
2-(7-chloroquinolin-4-yl)-2-cyclopropylacetic acid
CID 82666232
2-(5-bromo-2-chlorophenyl)-2-cyclopropylacetic acid
CID 175668562
methyl 2-amino-2-(2-amino-5-chlorophenyl)acetate
CID 130061350
5-chloro-2-(4,4-dimethylcyclohexyl)oxybenzoic acid
CID 114340744
2-(2,5-difluorophenyl)-2-(1-methylpiperidin-4-yl)acetic acid
CID 116825073

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chlorophenyl)-2-(4,4-dimethylcyclohexyl)acetic acid?
The IUPAC name of 2-(2-amino-5-chlorophenyl)-2-(4,4-dimethylcyclohexyl)acetic acid (CID 106987726) is 2-(2-amino-5-chlorophenyl)-2-(4,4-dimethylcyclohexyl)acetic acid.
What is the SMILES notation for 2-(2-amino-5-chlorophenyl)-2-(4,4-dimethylcyclohexyl)acetic acid?
The canonical SMILES for 2-(2-amino-5-chlorophenyl)-2-(4,4-dimethylcyclohexyl)acetic acid is CC1(C)CCC(C(C(=O)O)c2cc(Cl)ccc2N)CC1.
What is the InChIKey of 2-(2-amino-5-chlorophenyl)-2-(4,4-dimethylcyclohexyl)acetic acid?
The InChIKey is ATZKRNKFUMXOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-16(2)7-5-10(6-8-16)14(15(19)20)12-9-11(17)3-4-13(12)18/h3-4,9-10,14H,5-8,18H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-amino-5-chlorophenyl)-2-(4,4-dimethylcyclohexyl)acetic acid?
2-(2-amino-5-chlorophenyl)-2-(4,4-dimethylcyclohexyl)acetic acid has a molecular weight of 295.81 g/mol, XLogP of 4.31, 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-chlorophenyl)-2-(4,4-dimethylcyclohexyl)acetic acid is sourced from PubChem (CID 106987726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).