[(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol

C17H21F2NO — CID 167878323

IUPAC[(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol
SMILESOC[C@@]1(CNC2CC3(C2)CC3(F)F)C[C@H]1c1ccccc1
InChIInChI=1S/C17H21F2NO/c18-17(19)9-16(17)6-13(7-16)20-10-15(11-21)8-14(15)12-4-2-1-3-5-12/h1-5,13-14,20-21H,6-11H2/t13?,14-,15-,16?/m0/s1
InChIKeySLVIDCFWRWRNND-PYBGIAKNSA-N
MW293.36 g/mol
LogP2.93
Rot. Bonds5

About [(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol

[(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol (PubChem CID 167878323) has the molecular formula C17H21F2NO and a molecular weight of 293.36 g/mol. Its IUPAC name is [(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol
PubChem CID167878323
Molecular FormulaC17H21F2NO
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name[(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol
SMILESOC[C@@]1(CNC2CC3(C2)CC3(F)F)C[C@H]1c1ccccc1
InChIInChI=1S/C17H21F2NO/c18-17(19)9-16(17)6-13(7-16)20-10-15(11-21)8-14(15)12-4-2-1-3-5-12/h1-5,13-14,20-21H,6-11H2/t13?,14-,15-,16?/m0/s1
InChIKeySLVIDCFWRWRNND-PYBGIAKNSA-N
XLogP2.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol with MolForge

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Related Compounds

[(2S)-1-(hydroxymethyl)-2-phenylcyclopropyl]methanol
CID 101480035
[(1S,2S)-1-(aminomethyl)-2-phenylcyclopropyl]methanol;hydrochloride
CID 178189931
4-[[1-(hydroxymethyl)-2-phenylcyclopropyl]methylcarbamoylamino]-5-phenylpentanoic acid
CID 122027603
[(1R,2S)-1-methyl-2-phenylcyclopropyl]methanol
CID 10607081
[(2R)-1-(hydroxymethyl)-2-(4-methoxyphenyl)cyclopropyl]methanol
CID 121001967
(2,2-difluoro-3-phenylcyclopropyl)methanol
CID 13201699
[1-(hydroxymethyl)-4-methyl-2-phenylcyclohexyl]methanol
CID 139793925
4-fluoro-N-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclohexan-1-amine
CID 137422559
[1-[[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]-3-phenylcyclobutyl]methanol
CID 167960422
(2,2-difluorospiro[2.3]hexan-5-yl)-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone
CID 137412499
(2-fluoro-2-methoxycyclopropyl)benzene
CID 174280864
(2,2-difluorocyclobutyl)benzene
CID 91804683

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol?
The IUPAC name of [(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol (CID 167878323) is [(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol.
What is the SMILES notation for [(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol?
The canonical SMILES for [(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol is OC[C@@]1(CNC2CC3(C2)CC3(F)F)C[C@H]1c1ccccc1.
What is the InChIKey of [(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol?
The InChIKey is SLVIDCFWRWRNND-PYBGIAKNSA-N. The full InChI is InChI=1S/C17H21F2NO/c18-17(19)9-16(17)6-13(7-16)20-10-15(11-21)8-14(15)12-4-2-1-3-5-12/h1-5,13-14,20-21H,6-11H2/t13?,14-,15-,16?/m0/s1.
What are the key properties of [(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol?
[(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol has a molecular weight of 293.36 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-1-[[(2,2-difluorospiro[2.3]hexan-5-yl)amino]methyl]-2-phenylcyclopropyl]methanol is sourced from PubChem (CID 167878323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).