cyclohexanecarboxylic acid;(1R)-1-phenylethanamine

C15H23NO2 — CID 129012028

IUPACcyclohexanecarboxylic acid;(1R)-1-phenylethanamine
SMILESC[C@@H](N)c1ccccc1.O=C(O)C1CCCCC1
InChIInChI=1S/C8H11N.C7H12O2/c1-7(9)8-5-3-2-4-6-8;8-7(9)6-4-2-1-3-5-6/h2-7H,9H2,1H3;6H,1-5H2,(H,8,9)/t7-;/m1./s1
InChIKeyZFVRRIVHMDEBRM-OGFXRTJISA-N
MW249.35 g/mol
LogP3.36
Rot. Bonds2

About cyclohexanecarboxylic acid;(1R)-1-phenylethanamine

cyclohexanecarboxylic acid;(1R)-1-phenylethanamine (PubChem CID 129012028) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is cyclohexanecarboxylic acid;(1R)-1-phenylethanamine.

Molecular Properties

Compound Namecyclohexanecarboxylic acid;(1R)-1-phenylethanamine
PubChem CID129012028
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Namecyclohexanecarboxylic acid;(1R)-1-phenylethanamine
SMILESC[C@@H](N)c1ccccc1.O=C(O)C1CCCCC1
InChIInChI=1S/C8H11N.C7H12O2/c1-7(9)8-5-3-2-4-6-8;8-7(9)6-4-2-1-3-5-6/h2-7H,9H2,1H3;6H,1-5H2,(H,8,9)/t7-;/m1./s1
InChIKeyZFVRRIVHMDEBRM-OGFXRTJISA-N
XLogP3.36
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-cyclohex-3-ene-1-carboxylic acid;cyclohex-3-ene-1-carboxylic acid;(1S)-1-phenylethanamine
CID 162157534
1-aminoethanol;cyclohexanecarboxylic acid
CID 173051544
(2R)-1-cyclohexyl-2-phenylpropan-1-one
CID 138970657
2-amino-1-cyclohexyl-2-phenylethanone
CID 116551119
(1R)-1-phenylethanamine;propan-2-one
CID 54416751
cyclohexanecarboxylic acid;N-methylbenzamide
CID 70533648
cyclotetracosanecarboxylic acid
CID 176986816
cyclooctadecane-1,7,13-tricarboxylic acid
CID 10715056
cyclohexanecarboxylic acid
CID 11286469
N-[3-(1-aminoethyl)phenyl]cyclohexanecarboxamide
CID 16796065
N-[3-(1-aminoethyl)phenyl]cyclopentanecarboxamide
CID 16787772
benzene-1,2-diol;1-phenylethanamine
CID 174442381

Frequently Asked Questions

What is the IUPAC name of cyclohexanecarboxylic acid;(1R)-1-phenylethanamine?
The IUPAC name of cyclohexanecarboxylic acid;(1R)-1-phenylethanamine (CID 129012028) is cyclohexanecarboxylic acid;(1R)-1-phenylethanamine.
What is the SMILES notation for cyclohexanecarboxylic acid;(1R)-1-phenylethanamine?
The canonical SMILES for cyclohexanecarboxylic acid;(1R)-1-phenylethanamine is C[C@@H](N)c1ccccc1.O=C(O)C1CCCCC1.
What is the InChIKey of cyclohexanecarboxylic acid;(1R)-1-phenylethanamine?
The InChIKey is ZFVRRIVHMDEBRM-OGFXRTJISA-N. The full InChI is InChI=1S/C8H11N.C7H12O2/c1-7(9)8-5-3-2-4-6-8;8-7(9)6-4-2-1-3-5-6/h2-7H,9H2,1H3;6H,1-5H2,(H,8,9)/t7-;/m1./s1.
What are the key properties of cyclohexanecarboxylic acid;(1R)-1-phenylethanamine?
cyclohexanecarboxylic acid;(1R)-1-phenylethanamine has a molecular weight of 249.35 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanecarboxylic acid;(1R)-1-phenylethanamine is sourced from PubChem (CID 129012028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).