2-[2-(cycloheptyloxymethyl)phenyl]ethanamine

C16H25NO — CID 115464843

IUPAC2-[2-(cycloheptyloxymethyl)phenyl]ethanamine
SMILESNCCc1ccccc1COC1CCCCCC1
InChIInChI=1S/C16H25NO/c17-12-11-14-7-5-6-8-15(14)13-18-16-9-3-1-2-4-10-16/h5-8,16H,1-4,9-13,17H2
InChIKeyFKRGCOLYUCCKME-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.43
Rot. Bonds5

About 2-[2-(cycloheptyloxymethyl)phenyl]ethanamine

2-[2-(cycloheptyloxymethyl)phenyl]ethanamine (PubChem CID 115464843) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[2-(cycloheptyloxymethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(cycloheptyloxymethyl)phenyl]ethanamine
PubChem CID115464843
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[2-(cycloheptyloxymethyl)phenyl]ethanamine
SMILESNCCc1ccccc1COC1CCCCCC1
InChIInChI=1S/C16H25NO/c17-12-11-14-7-5-6-8-15(14)13-18-16-9-3-1-2-4-10-16/h5-8,16H,1-4,9-13,17H2
InChIKeyFKRGCOLYUCCKME-UHFFFAOYSA-N
XLogP3.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(oxolan-3-yloxymethyl)phenyl]ethanamine
CID 115465001
N-[2-[2-(cyclopentyloxymethyl)phenyl]ethyl]-2-methylpropan-2-amine
CID 115464481
2-(cycloheptyloxymethyl)benzonitrile
CID 61069550
1-[[2-(cyclohexyloxymethyl)phenyl]methyl]-2-phenylhydrazine
CID 169384880
2-(2-cycloheptylphenyl)ethanamine
CID 83836329
2-(cycloheptyloxymethyl)benzenecarboximidamide
CID 61070841
2-(3-bromo-2-cyclohexyloxyphenyl)ethanamine
CID 61391935
2-(cyclopentyloxymethyl)benzoic acid
CID 43473147
[4-(cycloheptyloxymethyl)phenyl]methanamine
CID 61069356
3-[2-(cyclohexyloxymethyl)phenyl]prop-2-yn-1-ol
CID 54969756
1-(aminomethyl)-4-[(2-fluorophenyl)methoxy]cyclohexan-1-ol
CID 58923698
1-(cyclopentyloxymethyl)-2,3-dimethylbenzene
CID 126674892

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cycloheptyloxymethyl)phenyl]ethanamine?
The IUPAC name of 2-[2-(cycloheptyloxymethyl)phenyl]ethanamine (CID 115464843) is 2-[2-(cycloheptyloxymethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-(cycloheptyloxymethyl)phenyl]ethanamine?
The canonical SMILES for 2-[2-(cycloheptyloxymethyl)phenyl]ethanamine is NCCc1ccccc1COC1CCCCCC1.
What is the InChIKey of 2-[2-(cycloheptyloxymethyl)phenyl]ethanamine?
The InChIKey is FKRGCOLYUCCKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c17-12-11-14-7-5-6-8-15(14)13-18-16-9-3-1-2-4-10-16/h5-8,16H,1-4,9-13,17H2.
What are the key properties of 2-[2-(cycloheptyloxymethyl)phenyl]ethanamine?
2-[2-(cycloheptyloxymethyl)phenyl]ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cycloheptyloxymethyl)phenyl]ethanamine is sourced from PubChem (CID 115464843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).