2-[(3-bromophenyl)methyl-methylamino]-1-naphthalen-2-ylethanol

C20H20BrNO — CID 44546740

IUPAC2-[(3-bromophenyl)methyl-methylamino]-1-naphthalen-2-ylethanol
SMILESCN(Cc1cccc(Br)c1)CC(O)c1ccc2ccccc2c1
InChIInChI=1S/C20H20BrNO/c1-22(13-15-5-4-8-19(21)11-15)14-20(23)18-10-9-16-6-2-3-7-17(16)12-18/h2-12,20,23H,13-14H2,1H3
InChIKeyYDUBIUNLZOSDSE-UHFFFAOYSA-N
MW370.29 g/mol
LogP4.77
Rot. Bonds5

About 2-[(3-bromophenyl)methyl-methylamino]-1-naphthalen-2-ylethanol

2-[(3-bromophenyl)methyl-methylamino]-1-naphthalen-2-ylethanol (PubChem CID 44546740) has the molecular formula C20H20BrNO and a molecular weight of 370.29 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl-methylamino]-1-naphthalen-2-ylethanol.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl-methylamino]-1-naphthalen-2-ylethanol
PubChem CID44546740
Molecular FormulaC20H20BrNO
Molecular Weight370.29 g/mol
Exact Mass369.07
IUPAC Name2-[(3-bromophenyl)methyl-methylamino]-1-naphthalen-2-ylethanol
SMILESCN(Cc1cccc(Br)c1)CC(O)c1ccc2ccccc2c1
InChIInChI=1S/C20H20BrNO/c1-22(13-15-5-4-8-19(21)11-15)14-20(23)18-10-9-16-6-2-3-7-17(16)12-18/h2-12,20,23H,13-14H2,1H3
InChIKeyYDUBIUNLZOSDSE-UHFFFAOYSA-N
XLogP4.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 149219600
CID 149219600
1-[(3-bromophenyl)methyl-methylamino]propan-2-ol
CID 61416066
2-(dimethylamino)-1-naphthalen-2-ylethanol
CID 60981028
3-[(3-bromophenyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-ol
CID 62617313
3-[(3-bromophenyl)methyl-methylamino]-2-phenylpropanoic acid
CID 63072802
4-[2-[benzyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-diol
CID 22005903
N-[(3-bromophenyl)methyl]-N,2-dimethylbutan-1-amine
CID 55136782
(1R)-2-[benzyl(methyl)amino]-1-(3-iodophenyl)ethanol
CID 92857425
1-naphthalen-2-yl-2-phenylethanol
CID 2793947
2-[methyl-(1-methylpiperidin-4-yl)amino]-1-naphthalen-2-ylethanol
CID 82216002
1-N-[(3-bromophenyl)methyl]-1-N-methyl-4-phenylbutane-1,2-diamine
CID 114929581
2-[methyl(pentan-2-yl)amino]-1-naphthalen-2-ylethanol
CID 60970944

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl-methylamino]-1-naphthalen-2-ylethanol?
The IUPAC name of 2-[(3-bromophenyl)methyl-methylamino]-1-naphthalen-2-ylethanol (CID 44546740) is 2-[(3-bromophenyl)methyl-methylamino]-1-naphthalen-2-ylethanol.
What is the SMILES notation for 2-[(3-bromophenyl)methyl-methylamino]-1-naphthalen-2-ylethanol?
The canonical SMILES for 2-[(3-bromophenyl)methyl-methylamino]-1-naphthalen-2-ylethanol is CN(Cc1cccc(Br)c1)CC(O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl-methylamino]-1-naphthalen-2-ylethanol?
The InChIKey is YDUBIUNLZOSDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrNO/c1-22(13-15-5-4-8-19(21)11-15)14-20(23)18-10-9-16-6-2-3-7-17(16)12-18/h2-12,20,23H,13-14H2,1H3.
What are the key properties of 2-[(3-bromophenyl)methyl-methylamino]-1-naphthalen-2-ylethanol?
2-[(3-bromophenyl)methyl-methylamino]-1-naphthalen-2-ylethanol has a molecular weight of 370.29 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl-methylamino]-1-naphthalen-2-ylethanol is sourced from PubChem (CID 44546740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).