2-(3-methoxyphenyl)ethanamine;tetrabromoplumbane

C9H13Br4NOPb — CID 175411262

IUPAC2-(3-methoxyphenyl)ethanamine;tetrabromoplumbane
SMILESBr[Pb](Br)(Br)Br.COc1cccc(CCN)c1
InChIInChI=1S/C9H13NO.4BrH.Pb/c1-11-9-4-2-3-8(7-9)5-6-10;;;;;/h2-4,7H,5-6,10H2,1H3;4*1H;/q;;;;;+4/p-4
InChIKeyXNAMRGFLPYLOQB-UHFFFAOYSA-J
MW678.02 g/mol
LogP4.20
Rot. Bonds3

About 2-(3-methoxyphenyl)ethanamine;tetrabromoplumbane

2-(3-methoxyphenyl)ethanamine;tetrabromoplumbane (PubChem CID 175411262) has the molecular formula C9H13Br4NOPb and a molecular weight of 678.02 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)ethanamine;tetrabromoplumbane.

Molecular Properties

Compound Name2-(3-methoxyphenyl)ethanamine;tetrabromoplumbane
PubChem CID175411262
Molecular FormulaC9H13Br4NOPb
Molecular Weight678.02 g/mol
Exact Mass674.75
IUPAC Name2-(3-methoxyphenyl)ethanamine;tetrabromoplumbane
SMILESBr[Pb](Br)(Br)Br.COc1cccc(CCN)c1
InChIInChI=1S/C9H13NO.4BrH.Pb/c1-11-9-4-2-3-8(7-9)5-6-10;;;;;/h2-4,7H,5-6,10H2,1H3;4*1H;/q;;;;;+4/p-4
InChIKeyXNAMRGFLPYLOQB-UHFFFAOYSA-J
XLogP4.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500678.02
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-methoxyphenyl)ethanamine;tetrabromoplumbane 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

benzaldehyde;2-(3-methoxyphenyl)ethanamine
CID 89401887
1-methoxy-3-propylbenzene
CID 14270128
2-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]ethanamine
CID 95469549
2-[5-chloro-3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethanamine;hydrochloride
CID 23043952
2-[3-(2-methylphenoxy)phenyl]ethanamine
CID 63942545
2-methoxy-4-(3-methoxyphenyl)butan-1-amine
CID 105463202
magnesium;1-methoxy-3-propylbenzene;bromide
CID 14861069
2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride
CID 71757143
(Z)-2-[2-(3-methoxyphenyl)ethyl]but-2-en-1-amine
CID 70986984
2-(3-pentan-2-yloxyphenyl)ethanamine
CID 107885455
2-[3-(difluoromethoxy)phenyl]ethanamine
CID 45091388
2-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80693684

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)ethanamine;tetrabromoplumbane?
The IUPAC name of 2-(3-methoxyphenyl)ethanamine;tetrabromoplumbane (CID 175411262) is 2-(3-methoxyphenyl)ethanamine;tetrabromoplumbane.
What is the SMILES notation for 2-(3-methoxyphenyl)ethanamine;tetrabromoplumbane?
The canonical SMILES for 2-(3-methoxyphenyl)ethanamine;tetrabromoplumbane is Br[Pb](Br)(Br)Br.COc1cccc(CCN)c1.
What is the InChIKey of 2-(3-methoxyphenyl)ethanamine;tetrabromoplumbane?
The InChIKey is XNAMRGFLPYLOQB-UHFFFAOYSA-J. The full InChI is InChI=1S/C9H13NO.4BrH.Pb/c1-11-9-4-2-3-8(7-9)5-6-10;;;;;/h2-4,7H,5-6,10H2,1H3;4*1H;/q;;;;;+4/p-4.
What are the key properties of 2-(3-methoxyphenyl)ethanamine;tetrabromoplumbane?
2-(3-methoxyphenyl)ethanamine;tetrabromoplumbane has a molecular weight of 678.02 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)ethanamine;tetrabromoplumbane is sourced from PubChem (CID 175411262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).