[3-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol

C14H20ClNO2 — CID 111976655

IUPAC[3-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol
SMILESCC(c1cccc(Cl)c1)N(C)CC1(CO)COC1
InChIInChI=1S/C14H20ClNO2/c1-11(12-4-3-5-13(15)6-12)16(2)7-14(8-17)9-18-10-14/h3-6,11,17H,7-10H2,1-2H3
InChIKeySMBNTCNKPRXOPQ-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.34
Rot. Bonds5

About [3-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol

[3-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol (PubChem CID 111976655) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is [3-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol
PubChem CID111976655
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name[3-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol
SMILESCC(c1cccc(Cl)c1)N(C)CC1(CO)COC1
InChIInChI=1S/C14H20ClNO2/c1-11(12-4-3-5-13(15)6-12)16(2)7-14(8-17)9-18-10-14/h3-6,11,17H,7-10H2,1-2H3
InChIKeySMBNTCNKPRXOPQ-UHFFFAOYSA-N
XLogP2.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[[1-(4-fluorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976555
4-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]oxane-4-carboxylic acid
CID 62984013
1-(3-chlorophenyl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine
CID 63142719
1-(3-chlorophenyl)-N-[2-(1,3-dioxan-2-yl)ethyl]-N-methylethanamine
CID 66472315
1-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980622
4-[1-(3-chlorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
CID 66455428
N'-[1-(3-chlorophenyl)ethyl]-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103070459
2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid
CID 62983892
4-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylbutan-2-ol
CID 79326810
N'-[1-(3-chlorophenyl)ethyl]-N'-methylheptane-1,7-diamine
CID 62985951
2-[1-(3-chlorophenyl)ethyl-methylamino]-1-(oxolan-3-yl)ethanone
CID 104750700
1-(4-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine
CID 62984001

Frequently Asked Questions

What is the IUPAC name of [3-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol (CID 111976655) is [3-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol is CC(c1cccc(Cl)c1)N(C)CC1(CO)COC1.
What is the InChIKey of [3-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol?
The InChIKey is SMBNTCNKPRXOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-11(12-4-3-5-13(15)6-12)16(2)7-14(8-17)9-18-10-14/h3-6,11,17H,7-10H2,1-2H3.
What are the key properties of [3-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol?
[3-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol has a molecular weight of 269.77 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 111976655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).