(2R)-5-amino-2-[(2S,5R)-6-(aminomethyl)-4-fluoro-5-phenylmethoxyoxan-2-yl]oxycyclohexan-1-ol

C19H29FN2O4 — CID 142537460

IUPAC(2R)-5-amino-2-[(2S,5R)-6-(aminomethyl)-4-fluoro-5-phenylmethoxyoxan-2-yl]oxycyclohexan-1-ol
SMILESNCC1O[C@H](O[C@@H]2CCC(N)CC2O)CC(F)[C@@H]1OCc1ccccc1
InChIInChI=1S/C19H29FN2O4/c20-14-9-18(25-16-7-6-13(22)8-15(16)23)26-17(10-21)19(14)24-11-12-4-2-1-3-5-12/h1-5,13-19,23H,6-11,21-22H2/t13?,14?,15?,16-,17?,18+,19+/m1/s1
InChIKeyASJAITXDQUGJJK-GUKPZRQJSA-N
MW368.45 g/mol
LogP1.24
Rot. Bonds6

About (2R)-5-amino-2-[(2S,5R)-6-(aminomethyl)-4-fluoro-5-phenylmethoxyoxan-2-yl]oxycyclohexan-1-ol

(2R)-5-amino-2-[(2S,5R)-6-(aminomethyl)-4-fluoro-5-phenylmethoxyoxan-2-yl]oxycyclohexan-1-ol (PubChem CID 142537460) has the molecular formula C19H29FN2O4 and a molecular weight of 368.45 g/mol. Its IUPAC name is (2R)-5-amino-2-[(2S,5R)-6-(aminomethyl)-4-fluoro-5-phenylmethoxyoxan-2-yl]oxycyclohexan-1-ol.

Molecular Properties

Compound Name(2R)-5-amino-2-[(2S,5R)-6-(aminomethyl)-4-fluoro-5-phenylmethoxyoxan-2-yl]oxycyclohexan-1-ol
PubChem CID142537460
Molecular FormulaC19H29FN2O4
Molecular Weight368.45 g/mol
Exact Mass368.21
IUPAC Name(2R)-5-amino-2-[(2S,5R)-6-(aminomethyl)-4-fluoro-5-phenylmethoxyoxan-2-yl]oxycyclohexan-1-ol
SMILESNCC1O[C@H](O[C@@H]2CCC(N)CC2O)CC(F)[C@@H]1OCc1ccccc1
InChIInChI=1S/C19H29FN2O4/c20-14-9-18(25-16-7-6-13(22)8-15(16)23)26-17(10-21)19(14)24-11-12-4-2-1-3-5-12/h1-5,13-19,23H,6-11,21-22H2/t13?,14?,15?,16-,17?,18+,19+/m1/s1
InChIKeyASJAITXDQUGJJK-GUKPZRQJSA-N
XLogP1.24
TPSA99.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-5-amino-2-[(2S,5R)-6-(aminomethyl)-4-fluoro-5-phenylmethoxyoxan-2-yl]oxycyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

3-phenylmethoxycyclopentan-1-amine
CID 79421215
(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3S,4R,5R,6R)-3-amino-6-(aminomethyl)-4-fluoro-5-phenylmethoxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol
CID 167266787
(1S,2S,4R)-2-fluoro-4-phenylmethoxycyclopentan-1-ol
CID 67957108
methyl 2-[(2S,3S,4R,5R,6R)-6-(aminomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]acetate
CID 11145593
(2R,3R,5S)-3-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolane
CID 91316153
(2R,3S,6R)-2-methyl-6-[(2R,3S,6R)-2-methyl-6-[(2R,3S,6S)-2-methyl-6-phenylmethoxyoxan-3-yl]oxyoxan-3-yl]oxyoxan-3-ol
CID 102291667
3-phenylmethoxycyclopentane-1,2-diamine
CID 163363678
(2R,3S,4R,6S)-2-methyl-3,6-bis(phenylmethoxy)oxan-4-ol
CID 14466621
cis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine
CID 10512782
(5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol
CID 126612131
(4R,6S)-6-phenoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 126612116
(4R,5R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 138518451

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[(2S,5R)-6-(aminomethyl)-4-fluoro-5-phenylmethoxyoxan-2-yl]oxycyclohexan-1-ol?
The IUPAC name of (2R)-5-amino-2-[(2S,5R)-6-(aminomethyl)-4-fluoro-5-phenylmethoxyoxan-2-yl]oxycyclohexan-1-ol (CID 142537460) is (2R)-5-amino-2-[(2S,5R)-6-(aminomethyl)-4-fluoro-5-phenylmethoxyoxan-2-yl]oxycyclohexan-1-ol.
What is the SMILES notation for (2R)-5-amino-2-[(2S,5R)-6-(aminomethyl)-4-fluoro-5-phenylmethoxyoxan-2-yl]oxycyclohexan-1-ol?
The canonical SMILES for (2R)-5-amino-2-[(2S,5R)-6-(aminomethyl)-4-fluoro-5-phenylmethoxyoxan-2-yl]oxycyclohexan-1-ol is NCC1O[C@H](O[C@@H]2CCC(N)CC2O)CC(F)[C@@H]1OCc1ccccc1.
What is the InChIKey of (2R)-5-amino-2-[(2S,5R)-6-(aminomethyl)-4-fluoro-5-phenylmethoxyoxan-2-yl]oxycyclohexan-1-ol?
The InChIKey is ASJAITXDQUGJJK-GUKPZRQJSA-N. The full InChI is InChI=1S/C19H29FN2O4/c20-14-9-18(25-16-7-6-13(22)8-15(16)23)26-17(10-21)19(14)24-11-12-4-2-1-3-5-12/h1-5,13-19,23H,6-11,21-22H2/t13?,14?,15?,16-,17?,18+,19+/m1/s1.
What are the key properties of (2R)-5-amino-2-[(2S,5R)-6-(aminomethyl)-4-fluoro-5-phenylmethoxyoxan-2-yl]oxycyclohexan-1-ol?
(2R)-5-amino-2-[(2S,5R)-6-(aminomethyl)-4-fluoro-5-phenylmethoxyoxan-2-yl]oxycyclohexan-1-ol has a molecular weight of 368.45 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[(2S,5R)-6-(aminomethyl)-4-fluoro-5-phenylmethoxyoxan-2-yl]oxycyclohexan-1-ol is sourced from PubChem (CID 142537460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).