(1S)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine

C15H21NO — CID 114245427

IUPAC(1S)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(OC2CC3CCC2C3)cc1
InChIInChI=1S/C15H21NO/c1-10(16)12-4-6-14(7-5-12)17-15-9-11-2-3-13(15)8-11/h4-7,10-11,13,15H,2-3,8-9,16H2,1H3/t10-,11?,13?,15?/m0/s1
InChIKeyVBWRIAMFSLIYOJ-GUBZZMJBSA-N
MW231.34 g/mol
LogP3.27
Rot. Bonds3

About (1S)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine

(1S)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine (PubChem CID 114245427) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (1S)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine
PubChem CID114245427
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(1S)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(OC2CC3CCC2C3)cc1
InChIInChI=1S/C15H21NO/c1-10(16)12-4-6-14(7-5-12)17-15-9-11-2-3-13(15)8-11/h4-7,10-11,13,15H,2-3,8-9,16H2,1H3/t10-,11?,13?,15?/m0/s1
InChIKeyVBWRIAMFSLIYOJ-GUBZZMJBSA-N
XLogP3.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine (CID 114245427) is (1S)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine is C[C@H](N)c1ccc(OC2CC3CCC2C3)cc1.
What is the InChIKey of (1S)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine?
The InChIKey is VBWRIAMFSLIYOJ-GUBZZMJBSA-N. The full InChI is InChI=1S/C15H21NO/c1-10(16)12-4-6-14(7-5-12)17-15-9-11-2-3-13(15)8-11/h4-7,10-11,13,15H,2-3,8-9,16H2,1H3/t10-,11?,13?,15?/m0/s1.
What are the key properties of (1S)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine?
(1S)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine has a molecular weight of 231.34 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine is sourced from PubChem (CID 114245427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).