1-[2-(3-bromophenoxy)ethyl-methylamino]propan-2-ol

C12H18BrNO2 — CID 55061080

IUPAC1-[2-(3-bromophenoxy)ethyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)CCOc1cccc(Br)c1
InChIInChI=1S/C12H18BrNO2/c1-10(15)9-14(2)6-7-16-12-5-3-4-11(13)8-12/h3-5,8,10,15H,6-7,9H2,1-2H3
InChIKeyJZEYGGNGQVOKEL-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.14
Rot. Bonds6

About 1-[2-(3-bromophenoxy)ethyl-methylamino]propan-2-ol

1-[2-(3-bromophenoxy)ethyl-methylamino]propan-2-ol (PubChem CID 55061080) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 1-[2-(3-bromophenoxy)ethyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-(3-bromophenoxy)ethyl-methylamino]propan-2-ol
PubChem CID55061080
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name1-[2-(3-bromophenoxy)ethyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)CCOc1cccc(Br)c1
InChIInChI=1S/C12H18BrNO2/c1-10(15)9-14(2)6-7-16-12-5-3-4-11(13)8-12/h3-5,8,10,15H,6-7,9H2,1-2H3
InChIKeyJZEYGGNGQVOKEL-UHFFFAOYSA-N
XLogP2.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-bromophenoxy)ethyl-methylamino]acetic acid
CID 43442338
N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylpentan-2-amine
CID 63457662
3-[2-(3-bromophenoxy)ethyl-methylamino]-N'-hydroxypropanimidamide
CID 54971448
1-bromo-3-(4-methylpentoxy)benzene
CID 83156174
N-[2-(3-bromophenoxy)ethyl]-N-(3-methylbutyl)cyclopropanamine
CID 78943956
2-[2-(3-bromophenoxy)ethyl-methylamino]-N,N-diethylacetamide
CID 60694299
N'-[2-(3-bromophenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79652362
methyl 4-[2-(3-bromophenoxy)ethyl-methylamino]butanoate
CID 62012123
2-(3-bromophenoxy)-N-(cyclohexylmethyl)-N-methylethanamine
CID 63458650
2-[2-(3-bromophenoxy)ethyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 60697432
2-(3-bromophenoxy)-N-(3-hydroxybutyl)-N-methylacetamide
CID 115691544
2-(3-bromophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 60646267

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenoxy)ethyl-methylamino]propan-2-ol?
The IUPAC name of 1-[2-(3-bromophenoxy)ethyl-methylamino]propan-2-ol (CID 55061080) is 1-[2-(3-bromophenoxy)ethyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-[2-(3-bromophenoxy)ethyl-methylamino]propan-2-ol?
The canonical SMILES for 1-[2-(3-bromophenoxy)ethyl-methylamino]propan-2-ol is CC(O)CN(C)CCOc1cccc(Br)c1.
What is the InChIKey of 1-[2-(3-bromophenoxy)ethyl-methylamino]propan-2-ol?
The InChIKey is JZEYGGNGQVOKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-10(15)9-14(2)6-7-16-12-5-3-4-11(13)8-12/h3-5,8,10,15H,6-7,9H2,1-2H3.
What are the key properties of 1-[2-(3-bromophenoxy)ethyl-methylamino]propan-2-ol?
1-[2-(3-bromophenoxy)ethyl-methylamino]propan-2-ol has a molecular weight of 288.19 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenoxy)ethyl-methylamino]propan-2-ol is sourced from PubChem (CID 55061080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).