2-[3-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine

C15H21NO — CID 114246098

IUPAC2-[3-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine
SMILESNCCc1cccc(OC2CC3CCC2C3)c1
InChIInChI=1S/C15H21NO/c16-7-6-11-2-1-3-14(9-11)17-15-10-12-4-5-13(15)8-12/h1-3,9,12-13,15H,4-8,10,16H2
InChIKeyUCLOZVVBKVLHPQ-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.76
Rot. Bonds4

About 2-[3-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine

2-[3-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine (PubChem CID 114246098) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[3-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine
PubChem CID114246098
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-[3-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine
SMILESNCCc1cccc(OC2CC3CCC2C3)c1
InChIInChI=1S/C15H21NO/c16-7-6-11-2-1-3-14(9-11)17-15-10-12-4-5-13(15)8-12/h1-3,9,12-13,15H,4-8,10,16H2
InChIKeyUCLOZVVBKVLHPQ-UHFFFAOYSA-N
XLogP2.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155896532
3-(3-cyclobutyloxyphenyl)propan-1-amine
CID 117294096
[2-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]phenyl]methanamine
CID 152547672
[4-(2-bicyclo[2.2.1]heptanyloxy)-3-chlorophenyl]methanamine
CID 117052546
3-[3-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115004698
2-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]acetic acid
CID 117094897
[2-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]methanamine
CID 114245408
(1S)-1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine
CID 114245427
5-(2-bicyclo[2.2.1]heptanyloxy)-2-chlorobenzoic acid
CID 114245371
2-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80693684
2-[3-(difluoromethoxy)phenyl]ethanamine
CID 45091388
2-[4-(chloromethyl)-2,6-difluorophenoxy]bicyclo[2.2.1]heptane
CID 114245614

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine?
The IUPAC name of 2-[3-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine (CID 114246098) is 2-[3-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine is NCCc1cccc(OC2CC3CCC2C3)c1.
What is the InChIKey of 2-[3-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine?
The InChIKey is UCLOZVVBKVLHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c16-7-6-11-2-1-3-14(9-11)17-15-10-12-4-5-13(15)8-12/h1-3,9,12-13,15H,4-8,10,16H2.
What are the key properties of 2-[3-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine?
2-[3-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine has a molecular weight of 231.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-bicyclo[2.2.1]heptanyloxy)phenyl]ethanamine is sourced from PubChem (CID 114246098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).