4-[[(2-chlorophenyl)methyl-methylamino]methyl]oxan-4-ol

C14H20ClNO2 — CID 113269047

IUPAC4-[[(2-chlorophenyl)methyl-methylamino]methyl]oxan-4-ol
SMILESCN(Cc1ccccc1Cl)CC1(O)CCOCC1
InChIInChI=1S/C14H20ClNO2/c1-16(10-12-4-2-3-5-13(12)15)11-14(17)6-8-18-9-7-14/h2-5,17H,6-11H2,1H3
InChIKeyPPUHGFLDJJGAGG-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.31
Rot. Bonds4

About 4-[[(2-chlorophenyl)methyl-methylamino]methyl]oxan-4-ol

4-[[(2-chlorophenyl)methyl-methylamino]methyl]oxan-4-ol (PubChem CID 113269047) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 4-[[(2-chlorophenyl)methyl-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(2-chlorophenyl)methyl-methylamino]methyl]oxan-4-ol
PubChem CID113269047
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name4-[[(2-chlorophenyl)methyl-methylamino]methyl]oxan-4-ol
SMILESCN(Cc1ccccc1Cl)CC1(O)CCOCC1
InChIInChI=1S/C14H20ClNO2/c1-16(10-12-4-2-3-5-13(12)15)11-14(17)6-8-18-9-7-14/h2-5,17H,6-11H2,1H3
InChIKeyPPUHGFLDJJGAGG-UHFFFAOYSA-N
XLogP2.31
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]benzonitrile
CID 114949366
2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]benzamide
CID 114952943
4-[[(6-chloro-2-pyridinyl)methyl-methylamino]methyl]oxan-4-ol
CID 114948813
1-(2-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine
CID 62272813
4-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]oxan-4-ol
CID 114948809
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746894
4-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115749285
4-[[(2-amino-3-nitrophenyl)methyl-methylamino]methyl]oxan-4-ol
CID 107351626
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol
CID 113269052
1-(2-chlorophenyl)-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]methanamine
CID 63122734
1-[[(3-chloro-4-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 113321844

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-chlorophenyl)methyl-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(2-chlorophenyl)methyl-methylamino]methyl]oxan-4-ol (CID 113269047) is 4-[[(2-chlorophenyl)methyl-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(2-chlorophenyl)methyl-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(2-chlorophenyl)methyl-methylamino]methyl]oxan-4-ol is CN(Cc1ccccc1Cl)CC1(O)CCOCC1.
What is the InChIKey of 4-[[(2-chlorophenyl)methyl-methylamino]methyl]oxan-4-ol?
The InChIKey is PPUHGFLDJJGAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-16(10-12-4-2-3-5-13(12)15)11-14(17)6-8-18-9-7-14/h2-5,17H,6-11H2,1H3.
What are the key properties of 4-[[(2-chlorophenyl)methyl-methylamino]methyl]oxan-4-ol?
4-[[(2-chlorophenyl)methyl-methylamino]methyl]oxan-4-ol has a molecular weight of 269.77 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-chlorophenyl)methyl-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 113269047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).