1-chloro-3-[methyl(oxan-3-ylmethyl)amino]propan-2-ol

C10H20ClNO2 — CID 112561683

IUPAC1-chloro-3-[methyl(oxan-3-ylmethyl)amino]propan-2-ol
SMILESCN(CC(O)CCl)CC1CCCOC1
InChIInChI=1S/C10H20ClNO2/c1-12(7-10(13)5-11)6-9-3-2-4-14-8-9/h9-10,13H,2-8H2,1H3
InChIKeyXYORWZMLHXHXGQ-UHFFFAOYSA-N
MW221.73 g/mol
LogP0.94
Rot. Bonds5

About 1-chloro-3-[methyl(oxan-3-ylmethyl)amino]propan-2-ol

1-chloro-3-[methyl(oxan-3-ylmethyl)amino]propan-2-ol (PubChem CID 112561683) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is 1-chloro-3-[methyl(oxan-3-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[methyl(oxan-3-ylmethyl)amino]propan-2-ol
PubChem CID112561683
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name1-chloro-3-[methyl(oxan-3-ylmethyl)amino]propan-2-ol
SMILESCN(CC(O)CCl)CC1CCCOC1
InChIInChI=1S/C10H20ClNO2/c1-12(7-10(13)5-11)6-9-3-2-4-14-8-9/h9-10,13H,2-8H2,1H3
InChIKeyXYORWZMLHXHXGQ-UHFFFAOYSA-N
XLogP0.94
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-3-[cyclohexylmethyl(methyl)amino]propan-2-ol
CID 112561400
1-(4-ethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol
CID 63713345
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564
2-methoxy-N'-methyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine
CID 106114843
1-N,2-N,3,3-tetramethyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63726325
4-[1-hydroxy-2-[methyl(oxan-3-ylmethyl)amino]ethyl]benzonitrile
CID 63712020
1-(dimethylamino)-3-(oxan-3-ylmethylamino)propan-2-ol
CID 61020835
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
1-cyclopropyl-N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine
CID 63913494
2-methyl-1-[methyl(oxan-3-ylmethyl)amino]propan-2-ol
CID 63713490
3-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 66010095
1-(2-ethoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol
CID 63712480

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[methyl(oxan-3-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1-chloro-3-[methyl(oxan-3-ylmethyl)amino]propan-2-ol (CID 112561683) is 1-chloro-3-[methyl(oxan-3-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[methyl(oxan-3-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[methyl(oxan-3-ylmethyl)amino]propan-2-ol is CN(CC(O)CCl)CC1CCCOC1.
What is the InChIKey of 1-chloro-3-[methyl(oxan-3-ylmethyl)amino]propan-2-ol?
The InChIKey is XYORWZMLHXHXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2/c1-12(7-10(13)5-11)6-9-3-2-4-14-8-9/h9-10,13H,2-8H2,1H3.
What are the key properties of 1-chloro-3-[methyl(oxan-3-ylmethyl)amino]propan-2-ol?
1-chloro-3-[methyl(oxan-3-ylmethyl)amino]propan-2-ol has a molecular weight of 221.73 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[methyl(oxan-3-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 112561683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).