ethanamine;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene

C15H17NO — CID 174428998

IUPACethanamine;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
SMILESCCN.c1ccc(COc2ccc3cc2-3)cc1
InChIInChI=1S/C13H10O.C2H7N/c1-2-4-10(5-3-1)9-14-13-7-6-11-8-12(11)13;1-2-3/h1-8H,9H2;2-3H2,1H3
InChIKeyJFTBVGITRNKBHG-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.21
Rot. Bonds3

About ethanamine;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene

ethanamine;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene (PubChem CID 174428998) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is ethanamine;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene.

Molecular Properties

Compound Nameethanamine;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
PubChem CID174428998
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Nameethanamine;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
SMILESCCN.c1ccc(COc2ccc3cc2-3)cc1
InChIInChI=1S/C13H10O.C2H7N/c1-2-4-10(5-3-1)9-14-13-7-6-11-8-12(11)13;1-2-3/h1-8H,9H2;2-3H2,1H3
InChIKeyJFTBVGITRNKBHG-UHFFFAOYSA-N
XLogP3.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174530188
3-(3,4-dimethoxyphenyl)-4-phenylmethoxyaniline
CID 169408827
(3-phenyl-4-phenylmethoxyphenyl)methanol
CID 164896135
4-[4-(3-amino-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenol
CID 23538933
2-(3-chloro-4-phenylmethoxyphenyl)aniline
CID 145161607
6-(2-phenylmethoxyphenyl)naphthalen-2-amine
CID 172868680
3-(3-methylsulfonylphenyl)-4-phenylmethoxyaniline
CID 169408826
2-ethyl-4-(2-phenylmethoxyphenyl)benzoic acid
CID 155988744
2-methyl-4-(4-methylphenyl)-1-phenylmethoxybenzene
CID 142190093
4-bromo-2-(4-methylsulfonylphenyl)-1-phenylmethoxybenzene
CID 170459918
4-ethenyl-2-(3-methylphenyl)-1-phenylmethoxybenzene
CID 172879772
(1S)-1-[4-(2-phenylmethoxyphenyl)phenyl]ethanamine
CID 154814748

Frequently Asked Questions

What is the IUPAC name of ethanamine;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene?
The IUPAC name of ethanamine;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene (CID 174428998) is ethanamine;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene.
What is the SMILES notation for ethanamine;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene?
The canonical SMILES for ethanamine;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene is CCN.c1ccc(COc2ccc3cc2-3)cc1.
What is the InChIKey of ethanamine;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene?
The InChIKey is JFTBVGITRNKBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C2H7N/c1-2-4-10(5-3-1)9-14-13-7-6-11-8-12(11)13;1-2-3/h1-8H,9H2;2-3H2,1H3.
What are the key properties of ethanamine;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene?
ethanamine;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene has a molecular weight of 227.31 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene is sourced from PubChem (CID 174428998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).