4-amino-1-(phenylmethoxymethyl)bicyclo[3.1.0]hexan-2-ol

C14H19NO2 — CID 21015291

IUPAC4-amino-1-(phenylmethoxymethyl)bicyclo[3.1.0]hexan-2-ol
SMILESNC1CC(O)C2(COCc3ccccc3)CC12
InChIInChI=1S/C14H19NO2/c15-12-6-13(16)14(7-11(12)14)9-17-8-10-4-2-1-3-5-10/h1-5,11-13,16H,6-9,15H2
InChIKeyNEWWONWZNBAZIP-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.30
Rot. Bonds4

About 4-amino-1-(phenylmethoxymethyl)bicyclo[3.1.0]hexan-2-ol

4-amino-1-(phenylmethoxymethyl)bicyclo[3.1.0]hexan-2-ol (PubChem CID 21015291) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-amino-1-(phenylmethoxymethyl)bicyclo[3.1.0]hexan-2-ol.

Molecular Properties

Compound Name4-amino-1-(phenylmethoxymethyl)bicyclo[3.1.0]hexan-2-ol
PubChem CID21015291
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-amino-1-(phenylmethoxymethyl)bicyclo[3.1.0]hexan-2-ol
SMILESNC1CC(O)C2(COCc3ccccc3)CC12
InChIInChI=1S/C14H19NO2/c15-12-6-13(16)14(7-11(12)14)9-17-8-10-4-2-1-3-5-10/h1-5,11-13,16H,6-9,15H2
InChIKeyNEWWONWZNBAZIP-UHFFFAOYSA-N
XLogP1.30
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,4S,5S,6S)-8,8-dimethyl-2-(phenylmethoxymethyl)-7,9-dioxatricyclo[4.3.0.02,4]nonan-5-ol
CID 59680938
trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine
CID 57481680
[(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]methanol
CID 15473516
N-[(1S,2S,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-bicyclo[4.1.0]heptanyl]acetamide
CID 15515769
N-[(2S,3S,4S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-bicyclo[4.1.0]heptanyl]acetamide
CID 16664731
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
(4S)-4-fluoro-4-(phenylmethoxymethyl)oxolan-2-ol
CID 10966198
cis-(2S,3S)-3-hydroxy-2-methyl-2-(phenylmethoxymethyl)cyclopentan-1-one
CID 11230049
(4S)-4-methyl-4-(phenylmethoxymethyl)oxolan-2-ol
CID 15450619
(1S,2S,3S,4R,5R)-5-amino-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
CID 15460032
2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-ol
CID 57425831
(1R,2R,4S,5S,6R)-5,6-bis(phenylmethoxy)-4-(phenylmethoxymethyl)cyclohexane-1,2,4-triol
CID 11048887

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(phenylmethoxymethyl)bicyclo[3.1.0]hexan-2-ol?
The IUPAC name of 4-amino-1-(phenylmethoxymethyl)bicyclo[3.1.0]hexan-2-ol (CID 21015291) is 4-amino-1-(phenylmethoxymethyl)bicyclo[3.1.0]hexan-2-ol.
What is the SMILES notation for 4-amino-1-(phenylmethoxymethyl)bicyclo[3.1.0]hexan-2-ol?
The canonical SMILES for 4-amino-1-(phenylmethoxymethyl)bicyclo[3.1.0]hexan-2-ol is NC1CC(O)C2(COCc3ccccc3)CC12.
What is the InChIKey of 4-amino-1-(phenylmethoxymethyl)bicyclo[3.1.0]hexan-2-ol?
The InChIKey is NEWWONWZNBAZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c15-12-6-13(16)14(7-11(12)14)9-17-8-10-4-2-1-3-5-10/h1-5,11-13,16H,6-9,15H2.
What are the key properties of 4-amino-1-(phenylmethoxymethyl)bicyclo[3.1.0]hexan-2-ol?
4-amino-1-(phenylmethoxymethyl)bicyclo[3.1.0]hexan-2-ol has a molecular weight of 233.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(phenylmethoxymethyl)bicyclo[3.1.0]hexan-2-ol is sourced from PubChem (CID 21015291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).