4-[[6-[[(3-chlorophenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]oxan-4-ol

C19H27ClN2O2 — CID 66775041

IUPAC4-[[6-[[(3-chlorophenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]oxan-4-ol
SMILESOC1(CN2CC3C(CNCc4cccc(Cl)c4)C3C2)CCOCC1
InChIInChI=1S/C19H27ClN2O2/c20-15-3-1-2-14(8-15)9-21-10-16-17-11-22(12-18(16)17)13-19(23)4-6-24-7-5-19/h1-3,8,16-18,21,23H,4-7,9-13H2
InChIKeySVMMYLMSRHKJDF-UHFFFAOYSA-N
MW350.89 g/mol
LogP2.15
Rot. Bonds6

About 4-[[6-[[(3-chlorophenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]oxan-4-ol

4-[[6-[[(3-chlorophenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]oxan-4-ol (PubChem CID 66775041) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is 4-[[6-[[(3-chlorophenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[6-[[(3-chlorophenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]oxan-4-ol
PubChem CID66775041
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC Name4-[[6-[[(3-chlorophenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]oxan-4-ol
SMILESOC1(CN2CC3C(CNCc4cccc(Cl)c4)C3C2)CCOCC1
InChIInChI=1S/C19H27ClN2O2/c20-15-3-1-2-14(8-15)9-21-10-16-17-11-22(12-18(16)17)13-19(23)4-6-24-7-5-19/h1-3,8,16-18,21,23H,4-7,9-13H2
InChIKeySVMMYLMSRHKJDF-UHFFFAOYSA-N
XLogP2.15
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[6-[[(3-chlorophenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]oxan-4-ol with MolForge

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Related Compounds

3-[[(3-chlorophenyl)methylamino]methyl]oxolan-3-ol
CID 115765990
N-[(3-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2991571
2-(3-chlorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79039515
5-amino-6-chloro-N-[[3-[(4-hydroxyoxan-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]quinoline-8-carboxamide;2,3-dihydroxybutanedioic acid
CID 86272600
N-[(3-chlorophenyl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 60961630
(2S,3S,5R)-5-[[(3-chlorophenyl)methylamino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol
CID 45361280
4-[[(3-methylphenyl)methylamino]methyl]oxan-4-ol
CID 78928927
N-[(3-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28643355
N-[(3-chlorophenyl)methyl]-1-[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 136877602
N-[(3-chlorophenyl)methyl]-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanamine
CID 155566844
4-(chloromethyl)-4-[(3-chlorophenyl)methyl]oxane
CID 66033526
2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172900654

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[[(3-chlorophenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]oxan-4-ol?
The IUPAC name of 4-[[6-[[(3-chlorophenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]oxan-4-ol (CID 66775041) is 4-[[6-[[(3-chlorophenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[6-[[(3-chlorophenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]oxan-4-ol?
The canonical SMILES for 4-[[6-[[(3-chlorophenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]oxan-4-ol is OC1(CN2CC3C(CNCc4cccc(Cl)c4)C3C2)CCOCC1.
What is the InChIKey of 4-[[6-[[(3-chlorophenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]oxan-4-ol?
The InChIKey is SVMMYLMSRHKJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c20-15-3-1-2-14(8-15)9-21-10-16-17-11-22(12-18(16)17)13-19(23)4-6-24-7-5-19/h1-3,8,16-18,21,23H,4-7,9-13H2.
What are the key properties of 4-[[6-[[(3-chlorophenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]oxan-4-ol?
4-[[6-[[(3-chlorophenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]oxan-4-ol has a molecular weight of 350.89 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[[(3-chlorophenyl)methylamino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]oxan-4-ol is sourced from PubChem (CID 66775041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).