(1S,3S,5R,6R)-3-phenylmethoxybicyclo[3.2.0]heptan-6-amine

C14H19NO — CID 154874589

IUPAC(1S,3S,5R,6R)-3-phenylmethoxybicyclo[3.2.0]heptan-6-amine
SMILESN[C@@H]1C[C@H]2C[C@H](OCc3ccccc3)C[C@H]21
InChIInChI=1S/C14H19NO/c15-14-7-11-6-12(8-13(11)14)16-9-10-4-2-1-3-5-10/h1-5,11-14H,6-9,15H2/t11-,12+,13-,14-/m1/s1
InChIKeyPKZSNCYRHNOSQL-XJFOESAGSA-N
MW217.31 g/mol
LogP2.33
Rot. Bonds3

About (1S,3S,5R,6R)-3-phenylmethoxybicyclo[3.2.0]heptan-6-amine

(1S,3S,5R,6R)-3-phenylmethoxybicyclo[3.2.0]heptan-6-amine (PubChem CID 154874589) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (1S,3S,5R,6R)-3-phenylmethoxybicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name(1S,3S,5R,6R)-3-phenylmethoxybicyclo[3.2.0]heptan-6-amine
PubChem CID154874589
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(1S,3S,5R,6R)-3-phenylmethoxybicyclo[3.2.0]heptan-6-amine
SMILESN[C@@H]1C[C@H]2C[C@H](OCc3ccccc3)C[C@H]21
InChIInChI=1S/C14H19NO/c15-14-7-11-6-12(8-13(11)14)16-9-10-4-2-1-3-5-10/h1-5,11-14H,6-9,15H2/t11-,12+,13-,14-/m1/s1
InChIKeyPKZSNCYRHNOSQL-XJFOESAGSA-N
XLogP2.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 66344030
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(5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 122657901
(1S,2S,4R)-2-fluoro-4-phenylmethoxycyclopentan-1-ol
CID 67957108
(1R,2R,5S)-2-chloro-5-phenylmethoxycyclohexan-1-amine
CID 10354246
azane;cyclopentyloxymethylbenzene
CID 69411306
3-phenylmethoxycyclobutane-1-carboxamide
CID 121012391
2,4-bis(phenylmethoxy)cyclopentan-1-ol
CID 57200651
6,15,24,33-tetrakis(phenylmethoxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
CID 173466945
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
4-phenylmethoxyoxane
CID 66554133

Frequently Asked Questions

What is the IUPAC name of (1S,3S,5R,6R)-3-phenylmethoxybicyclo[3.2.0]heptan-6-amine?
The IUPAC name of (1S,3S,5R,6R)-3-phenylmethoxybicyclo[3.2.0]heptan-6-amine (CID 154874589) is (1S,3S,5R,6R)-3-phenylmethoxybicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for (1S,3S,5R,6R)-3-phenylmethoxybicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for (1S,3S,5R,6R)-3-phenylmethoxybicyclo[3.2.0]heptan-6-amine is N[C@@H]1C[C@H]2C[C@H](OCc3ccccc3)C[C@H]21.
What is the InChIKey of (1S,3S,5R,6R)-3-phenylmethoxybicyclo[3.2.0]heptan-6-amine?
The InChIKey is PKZSNCYRHNOSQL-XJFOESAGSA-N. The full InChI is InChI=1S/C14H19NO/c15-14-7-11-6-12(8-13(11)14)16-9-10-4-2-1-3-5-10/h1-5,11-14H,6-9,15H2/t11-,12+,13-,14-/m1/s1.
What are the key properties of (1S,3S,5R,6R)-3-phenylmethoxybicyclo[3.2.0]heptan-6-amine?
(1S,3S,5R,6R)-3-phenylmethoxybicyclo[3.2.0]heptan-6-amine has a molecular weight of 217.31 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,5R,6R)-3-phenylmethoxybicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 154874589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).