cyclohexanamine;2-phenylacetic acid

C14H21NO2 — CID 70192288

IUPACcyclohexanamine;2-phenylacetic acid
SMILESNC1CCCCC1.O=C(O)Cc1ccccc1
InChIInChI=1S/C8H8O2.C6H13N/c9-8(10)6-7-4-2-1-3-5-7;7-6-4-2-1-3-5-6/h1-5H,6H2,(H,9,10);6H,1-5,7H2
InChIKeyFXDWCFTTXMDZNK-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.59
Rot. Bonds2

About cyclohexanamine;2-phenylacetic acid

cyclohexanamine;2-phenylacetic acid (PubChem CID 70192288) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is cyclohexanamine;2-phenylacetic acid.

Molecular Properties

Compound Namecyclohexanamine;2-phenylacetic acid
PubChem CID70192288
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namecyclohexanamine;2-phenylacetic acid
SMILESNC1CCCCC1.O=C(O)Cc1ccccc1
InChIInChI=1S/C8H8O2.C6H13N/c9-8(10)6-7-4-2-1-3-5-7;7-6-4-2-1-3-5-6/h1-5H,6H2,(H,9,10);6H,1-5,7H2
InChIKeyFXDWCFTTXMDZNK-UHFFFAOYSA-N
XLogP2.59
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cycloheptanamine;phenylmethanamine
CID 162192852
1-(2-aminocyclohexyl)-2-phenylethanone
CID 116579753
2-phenylacetic acid;silver
CID 50912513
2-phenylacetic acid;dihydrate
CID 168967514
copper 2-phenylacetic acid
CID 54609410
tris(2-phenylacetic acid);rhodium
CID 11168112
formaldehyde;2-phenylacetic acid
CID 70638018
calcium;hydride;2-phenylacetic acid
CID 173132712
2-(4-cycloheptylphenyl)acetic acid
CID 21484425
N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529
2-phenylacetic acid;propanedioic acid
CID 159349511
naphthalene;2-phenylacetic acid
CID 174965541

Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;2-phenylacetic acid?
The IUPAC name of cyclohexanamine;2-phenylacetic acid (CID 70192288) is cyclohexanamine;2-phenylacetic acid.
What is the SMILES notation for cyclohexanamine;2-phenylacetic acid?
The canonical SMILES for cyclohexanamine;2-phenylacetic acid is NC1CCCCC1.O=C(O)Cc1ccccc1.
What is the InChIKey of cyclohexanamine;2-phenylacetic acid?
The InChIKey is FXDWCFTTXMDZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C6H13N/c9-8(10)6-7-4-2-1-3-5-7;7-6-4-2-1-3-5-6/h1-5H,6H2,(H,9,10);6H,1-5,7H2.
What are the key properties of cyclohexanamine;2-phenylacetic acid?
cyclohexanamine;2-phenylacetic acid has a molecular weight of 235.33 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;2-phenylacetic acid is sourced from PubChem (CID 70192288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).