3-[[(3-chlorophenyl)methylamino]methyl]oxolan-3-ol

C12H16ClNO2 — CID 115765990

IUPAC3-[[(3-chlorophenyl)methylamino]methyl]oxolan-3-ol
SMILESOC1(CNCc2cccc(Cl)c2)CCOC1
InChIInChI=1S/C12H16ClNO2/c13-11-3-1-2-10(6-11)7-14-8-12(15)4-5-16-9-12/h1-3,6,14-15H,4-5,7-9H2
InChIKeyWJMQNENLXRFQDI-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.58
Rot. Bonds4

About 3-[[(3-chlorophenyl)methylamino]methyl]oxolan-3-ol

3-[[(3-chlorophenyl)methylamino]methyl]oxolan-3-ol (PubChem CID 115765990) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-[[(3-chlorophenyl)methylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(3-chlorophenyl)methylamino]methyl]oxolan-3-ol
PubChem CID115765990
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name3-[[(3-chlorophenyl)methylamino]methyl]oxolan-3-ol
SMILESOC1(CNCc2cccc(Cl)c2)CCOC1
InChIInChI=1S/C12H16ClNO2/c13-11-3-1-2-10(6-11)7-14-8-12(15)4-5-16-9-12/h1-3,6,14-15H,4-5,7-9H2
InChIKeyWJMQNENLXRFQDI-UHFFFAOYSA-N
XLogP1.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338499
3-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzamide
CID 103848289
3-[[[3-(methoxymethyl)phenyl]methylamino]methyl]oxolan-3-ol
CID 103848358
3-[[(4-chloro-3-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 103848346
4-[[(3-methylphenyl)methylamino]methyl]oxan-4-ol
CID 78928927
3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338500
3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]oxolan-3-ol
CID 103848486
3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]oxolan-3-ol
CID 103848442
4-[[(3-chlorophenyl)methylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499358
3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol
CID 106100480
2-(3-chlorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79039515
N'-hydroxy-3-[[(4-hydroxyoxan-4-yl)methylamino]methyl]benzenecarboximidamide
CID 81130732

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-chlorophenyl)methylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(3-chlorophenyl)methylamino]methyl]oxolan-3-ol (CID 115765990) is 3-[[(3-chlorophenyl)methylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(3-chlorophenyl)methylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(3-chlorophenyl)methylamino]methyl]oxolan-3-ol is OC1(CNCc2cccc(Cl)c2)CCOC1.
What is the InChIKey of 3-[[(3-chlorophenyl)methylamino]methyl]oxolan-3-ol?
The InChIKey is WJMQNENLXRFQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c13-11-3-1-2-10(6-11)7-14-8-12(15)4-5-16-9-12/h1-3,6,14-15H,4-5,7-9H2.
What are the key properties of 3-[[(3-chlorophenyl)methylamino]methyl]oxolan-3-ol?
3-[[(3-chlorophenyl)methylamino]methyl]oxolan-3-ol has a molecular weight of 241.72 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-chlorophenyl)methylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 115765990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).