2-(1-phenylmethoxycycloheptyl)ethanamine

C16H25NO — CID 115046142

IUPAC2-(1-phenylmethoxycycloheptyl)ethanamine
SMILESNCCC1(OCc2ccccc2)CCCCCC1
InChIInChI=1S/C16H25NO/c17-13-12-16(10-6-1-2-7-11-16)18-14-15-8-4-3-5-9-15/h3-5,8-9H,1-2,6-7,10-14,17H2
InChIKeySUINKOWYABDFAA-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.64
Rot. Bonds5

About 2-(1-phenylmethoxycycloheptyl)ethanamine

2-(1-phenylmethoxycycloheptyl)ethanamine (PubChem CID 115046142) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(1-phenylmethoxycycloheptyl)ethanamine.

Molecular Properties

Compound Name2-(1-phenylmethoxycycloheptyl)ethanamine
PubChem CID115046142
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(1-phenylmethoxycycloheptyl)ethanamine
SMILESNCCC1(OCc2ccccc2)CCCCCC1
InChIInChI=1S/C16H25NO/c17-13-12-16(10-6-1-2-7-11-16)18-14-15-8-4-3-5-9-15/h3-5,8-9H,1-2,6-7,10-14,17H2
InChIKeySUINKOWYABDFAA-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-phenylmethoxycyclopentyl)methanamine
CID 62107893
[1-(iodomethyl)cyclohexyl]oxymethylbenzene
CID 114772517
2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethanamine
CID 103274368
2-(1-phenylmethoxycyclohexyl)acetaldehyde
CID 115039002
2-(1-methyl-3-phenylmethoxypyrrolidin-3-yl)ethanamine
CID 115040359
[1-[(4-bromophenyl)methoxy]cycloheptyl]methanamine
CID 82832273
(1-phenylmethoxycyclobutyl)methanesulfonyl chloride
CID 115050877
[1-(pyridin-4-ylmethoxy)cyclopentyl]methanamine
CID 65050486
2-[1-(phenylmethoxymethyl)cyclopropyl]ethanamine
CID 65480359
(3-phenylmethoxyoxolan-3-yl)methanamine
CID 115025185
[1-[(2-fluorophenyl)methoxy]cyclohexyl]methanamine
CID 63932626
1-(bromomethyl)-1-[(4-chlorophenyl)methoxy]cycloheptane
CID 65124429

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylmethoxycycloheptyl)ethanamine?
The IUPAC name of 2-(1-phenylmethoxycycloheptyl)ethanamine (CID 115046142) is 2-(1-phenylmethoxycycloheptyl)ethanamine.
What is the SMILES notation for 2-(1-phenylmethoxycycloheptyl)ethanamine?
The canonical SMILES for 2-(1-phenylmethoxycycloheptyl)ethanamine is NCCC1(OCc2ccccc2)CCCCCC1.
What is the InChIKey of 2-(1-phenylmethoxycycloheptyl)ethanamine?
The InChIKey is SUINKOWYABDFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c17-13-12-16(10-6-1-2-7-11-16)18-14-15-8-4-3-5-9-15/h3-5,8-9H,1-2,6-7,10-14,17H2.
What are the key properties of 2-(1-phenylmethoxycycloheptyl)ethanamine?
2-(1-phenylmethoxycycloheptyl)ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylmethoxycycloheptyl)ethanamine is sourced from PubChem (CID 115046142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).