1-(3-bromophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol

C14H20BrNO2 — CID 110898632

IUPAC1-(3-bromophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
SMILESCN(CC1CCCO1)CC(O)c1cccc(Br)c1
InChIInChI=1S/C14H20BrNO2/c1-16(9-13-6-3-7-18-13)10-14(17)11-4-2-5-12(15)8-11/h2,4-5,8,13-14,17H,3,6-7,9-10H2,1H3
InChIKeySLKIDRFMDKVONK-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.59
Rot. Bonds5

About 1-(3-bromophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol

1-(3-bromophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol (PubChem CID 110898632) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
PubChem CID110898632
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name1-(3-bromophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
SMILESCN(CC1CCCO1)CC(O)c1cccc(Br)c1
InChIInChI=1S/C14H20BrNO2/c1-16(9-13-6-3-7-18-13)10-14(17)11-4-2-5-12(15)8-11/h2,4-5,8,13-14,17H,3,6-7,9-10H2,1H3
InChIKeySLKIDRFMDKVONK-UHFFFAOYSA-N
XLogP2.59
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanol
CID 110902060
1-(3,5-dimethylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
CID 79039900
1-(3-bromophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65161913
1-(3-bromophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone
CID 61431815
1-(2,5-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
CID 110898634
(2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol
CID 103935026
1-(3-bromophenyl)-3-[cyclohexylmethyl(methyl)amino]propan-1-ol
CID 62618495
1-(3-methoxyphenyl)-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431727
3-[methyl(oxan-2-ylmethyl)amino]-1-phenylpropan-1-ol
CID 62613757
1-(3-aminophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanol
CID 63725224
2-[2-(3-bromophenyl)-3-chloropropyl]oxolane
CID 79431236
1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanol
CID 110885623

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol (CID 110898632) is 1-(3-bromophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol is CN(CC1CCCO1)CC(O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol?
The InChIKey is SLKIDRFMDKVONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-16(9-13-6-3-7-18-13)10-14(17)11-4-2-5-12(15)8-11/h2,4-5,8,13-14,17H,3,6-7,9-10H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol?
1-(3-bromophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol has a molecular weight of 314.22 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 110898632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).