2-[(3-bromo-4-methoxyphenyl)methyl-propan-2-ylamino]ethanol

C13H20BrNO2 — CID 60696343

IUPAC2-[(3-bromo-4-methoxyphenyl)methyl-propan-2-ylamino]ethanol
SMILESCOc1ccc(CN(CCO)C(C)C)cc1Br
InChIInChI=1S/C13H20BrNO2/c1-10(2)15(6-7-16)9-11-4-5-13(17-3)12(14)8-11/h4-5,8,10,16H,6-7,9H2,1-3H3
InChIKeyQGMHDCBDBWFKHN-UHFFFAOYSA-N
MW302.21 g/mol
LogP2.66
Rot. Bonds6

About 2-[(3-bromo-4-methoxyphenyl)methyl-propan-2-ylamino]ethanol

2-[(3-bromo-4-methoxyphenyl)methyl-propan-2-ylamino]ethanol (PubChem CID 60696343) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 2-[(3-bromo-4-methoxyphenyl)methyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[(3-bromo-4-methoxyphenyl)methyl-propan-2-ylamino]ethanol
PubChem CID60696343
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name2-[(3-bromo-4-methoxyphenyl)methyl-propan-2-ylamino]ethanol
SMILESCOc1ccc(CN(CCO)C(C)C)cc1Br
InChIInChI=1S/C13H20BrNO2/c1-10(2)15(6-7-16)9-11-4-5-13(17-3)12(14)8-11/h4-5,8,10,16H,6-7,9H2,1-3H3
InChIKeyQGMHDCBDBWFKHN-UHFFFAOYSA-N
XLogP2.66
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-bromo-4-methoxyphenyl)methyl-propan-2-ylamino]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

2-[(3-amino-4-methoxyphenyl)methyl-propan-2-ylamino]ethanol
CID 54995973
N-benzyl-N-[(3-bromo-4-methoxyphenyl)methyl]propan-2-amine
CID 60688895
3-[(3-bromo-4-methoxyphenyl)methyl-propan-2-ylamino]propanimidamide
CID 54996722
N-[(3-bromo-4-methoxyphenyl)methyl]-N-(2-methoxyethyl)butan-2-amine
CID 54942276
1-(3-bromo-4-methoxyphenyl)-2-[2-hydroxyethyl(propan-2-yl)amino]ethanone
CID 62029753
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxy-N-methylpropan-2-amine
CID 60964408
1-[3-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-4-methoxyphenyl]ethanone
CID 60691475
4-(3-bromo-4-methoxyphenyl)butan-1-ol
CID 64516496
2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]ethanethiol
CID 115224072
2-[(3-bromo-4-methoxyphenyl)methyl]-3-methylbutan-1-ol
CID 66060269
2-[(4,5-dimethoxy-2-methylphenyl)methyl-propan-2-ylamino]ethanol
CID 60696434

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methoxyphenyl)methyl-propan-2-ylamino]ethanol?
The IUPAC name of 2-[(3-bromo-4-methoxyphenyl)methyl-propan-2-ylamino]ethanol (CID 60696343) is 2-[(3-bromo-4-methoxyphenyl)methyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[(3-bromo-4-methoxyphenyl)methyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[(3-bromo-4-methoxyphenyl)methyl-propan-2-ylamino]ethanol is COc1ccc(CN(CCO)C(C)C)cc1Br.
What is the InChIKey of 2-[(3-bromo-4-methoxyphenyl)methyl-propan-2-ylamino]ethanol?
The InChIKey is QGMHDCBDBWFKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-10(2)15(6-7-16)9-11-4-5-13(17-3)12(14)8-11/h4-5,8,10,16H,6-7,9H2,1-3H3.
What are the key properties of 2-[(3-bromo-4-methoxyphenyl)methyl-propan-2-ylamino]ethanol?
2-[(3-bromo-4-methoxyphenyl)methyl-propan-2-ylamino]ethanol has a molecular weight of 302.21 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-methoxyphenyl)methyl-propan-2-ylamino]ethanol is sourced from PubChem (CID 60696343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).