[3-[(4-chlorophenyl)-(dimethylamino)methyl]oxetan-3-yl]methanol

C13H18ClNO2 — CID 116912957

IUPAC[3-[(4-chlorophenyl)-(dimethylamino)methyl]oxetan-3-yl]methanol
SMILESCN(C)C(c1ccc(Cl)cc1)C1(CO)COC1
InChIInChI=1S/C13H18ClNO2/c1-15(2)12(13(7-16)8-17-9-13)10-3-5-11(14)6-4-10/h3-6,12,16H,7-9H2,1-2H3
InChIKeyHWUSBXOBSNYEMU-UHFFFAOYSA-N
MW255.74 g/mol
LogP1.95
Rot. Bonds4

About [3-[(4-chlorophenyl)-(dimethylamino)methyl]oxetan-3-yl]methanol

[3-[(4-chlorophenyl)-(dimethylamino)methyl]oxetan-3-yl]methanol (PubChem CID 116912957) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is [3-[(4-chlorophenyl)-(dimethylamino)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(4-chlorophenyl)-(dimethylamino)methyl]oxetan-3-yl]methanol
PubChem CID116912957
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name[3-[(4-chlorophenyl)-(dimethylamino)methyl]oxetan-3-yl]methanol
SMILESCN(C)C(c1ccc(Cl)cc1)C1(CO)COC1
InChIInChI=1S/C13H18ClNO2/c1-15(2)12(13(7-16)8-17-9-13)10-3-5-11(14)6-4-10/h3-6,12,16H,7-9H2,1-2H3
InChIKeyHWUSBXOBSNYEMU-UHFFFAOYSA-N
XLogP1.95
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-chlorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol
CID 116912658
[3-[amino-(4-chlorophenyl)methyl]oxetan-3-yl]methanol
CID 116944767
[3-[dimethylamino(thiophen-2-yl)methyl]oxetan-3-yl]methanol
CID 116912949
1-[3-(aminomethyl)oxetan-3-yl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine
CID 116913020
1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(4-propylphenyl)methanamine
CID 116913035
[3-[dimethylamino-(2-methoxy-5-methylphenyl)methyl]oxetan-3-yl]methanol
CID 116912962
[1-[dimethylamino-(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanol
CID 116912161
[3-[amino-(4-fluoro-3-methylphenyl)methyl]oxetan-3-yl]methanol
CID 116944770
(2R)-2-(4-chlorophenyl)-2-(dimethylamino)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 51599913
1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(1H-pyrrol-3-yl)methanamine
CID 116913048
[3-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976655
N-tert-butyl-N-[(S)-(4-chlorophenyl)-[(2R)-2-phenyloxiran-2-yl]methyl]hydroxylamine
CID 134985454

Frequently Asked Questions

What is the IUPAC name of [3-[(4-chlorophenyl)-(dimethylamino)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(4-chlorophenyl)-(dimethylamino)methyl]oxetan-3-yl]methanol (CID 116912957) is [3-[(4-chlorophenyl)-(dimethylamino)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(4-chlorophenyl)-(dimethylamino)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(4-chlorophenyl)-(dimethylamino)methyl]oxetan-3-yl]methanol is CN(C)C(c1ccc(Cl)cc1)C1(CO)COC1.
What is the InChIKey of [3-[(4-chlorophenyl)-(dimethylamino)methyl]oxetan-3-yl]methanol?
The InChIKey is HWUSBXOBSNYEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-15(2)12(13(7-16)8-17-9-13)10-3-5-11(14)6-4-10/h3-6,12,16H,7-9H2,1-2H3.
What are the key properties of [3-[(4-chlorophenyl)-(dimethylamino)methyl]oxetan-3-yl]methanol?
[3-[(4-chlorophenyl)-(dimethylamino)methyl]oxetan-3-yl]methanol has a molecular weight of 255.74 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chlorophenyl)-(dimethylamino)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 116912957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).