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

C15H22BrNO2 — CID 110902060

IUPAC1-(3-bromophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanol
SMILESCN(CC1CCCCO1)CC(O)c1cccc(Br)c1
InChIInChI=1S/C15H22BrNO2/c1-17(10-14-7-2-3-8-19-14)11-15(18)12-5-4-6-13(16)9-12/h4-6,9,14-15,18H,2-3,7-8,10-11H2,1H3
InChIKeyLBKYGZFOQQNUSF-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.98
Rot. Bonds5

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

1-(3-bromophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanol (PubChem CID 110902060) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanol
PubChem CID110902060
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name1-(3-bromophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanol
SMILESCN(CC1CCCCO1)CC(O)c1cccc(Br)c1
InChIInChI=1S/C15H22BrNO2/c1-17(10-14-7-2-3-8-19-14)11-15(18)12-5-4-6-13(16)9-12/h4-6,9,14-15,18H,2-3,7-8,10-11H2,1H3
InChIKeyLBKYGZFOQQNUSF-UHFFFAOYSA-N
XLogP2.98
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
CID 110898632
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
3-[methyl(oxan-2-ylmethyl)amino]-1-phenylpropan-1-ol
CID 62613757
1-(3-bromophenyl)-3-[cyclohexylmethyl(methyl)amino]propan-1-ol
CID 62618495
1-(3-bromophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone
CID 61431815
1-(3-bromophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54949073
1-[methyl(oxan-2-ylmethyl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 110902606
1-(3-aminophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanol
CID 63725224
1-(2,5-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
CID 110898634
N'-methyl-1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 61431684
(2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol
CID 103935026

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanol (CID 110902060) is 1-(3-bromophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanol is CN(CC1CCCCO1)CC(O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanol?
The InChIKey is LBKYGZFOQQNUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-17(10-14-7-2-3-8-19-14)11-15(18)12-5-4-6-13(16)9-12/h4-6,9,14-15,18H,2-3,7-8,10-11H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanol?
1-(3-bromophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanol has a molecular weight of 328.25 g/mol, XLogP of 2.98, 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(oxan-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 110902060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).