N-[(2-dichlorobismuthanylphenyl)methyl]-N-ethylethanamine

C11H16BiCl2N — CID 138974312

IUPACN-[(2-dichlorobismuthanylphenyl)methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1ccccc1[Bi](Cl)Cl
InChIInChI=1S/C11H16N.Bi.2ClH/c1-3-12(4-2)10-11-8-6-5-7-9-11;;;/h5-8H,3-4,10H2,1-2H3;;2*1H/q;+2;;/p-2
InChIKeyHDNDZDQKTPDPTH-UHFFFAOYSA-L
MW442.14 g/mol
LogP2.70
Rot. Bonds5

About N-[(2-dichlorobismuthanylphenyl)methyl]-N-ethylethanamine

N-[(2-dichlorobismuthanylphenyl)methyl]-N-ethylethanamine (PubChem CID 138974312) has the molecular formula C11H16BiCl2N and a molecular weight of 442.14 g/mol. Its IUPAC name is N-[(2-dichlorobismuthanylphenyl)methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[(2-dichlorobismuthanylphenyl)methyl]-N-ethylethanamine
PubChem CID138974312
Molecular FormulaC11H16BiCl2N
Molecular Weight442.14 g/mol
Exact Mass441.05
IUPAC NameN-[(2-dichlorobismuthanylphenyl)methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1ccccc1[Bi](Cl)Cl
InChIInChI=1S/C11H16N.Bi.2ClH/c1-3-12(4-2)10-11-8-6-5-7-9-11;;;/h5-8H,3-4,10H2,1-2H3;;2*1H/q;+2;;/p-2
InChIKeyHDNDZDQKTPDPTH-UHFFFAOYSA-L
XLogP2.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.14
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,3-dimethylphenyl)methyl]-N-ethylethanamine
CID 12587583
cadmium(2+);bis(2-(diethylaminomethyl)benzeneselenolate)
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3-(diethylaminomethyl)-2-fluoroaniline
CID 107347165
2-(diethylaminomethyl)-N-methylaniline
CID 23009383
N-[[2-(2,2-diethylhydrazinyl)phenyl]methyl]-N-ethylethanamine
CID 101120062
2-[2-(diethylaminomethyl)phenyl]ethanethioamide
CID 82135813
N-[(2,3-dimethoxyphenyl)methyl]-N-ethylethanamine
CID 4658188
N-ethyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
CID 70295850
2-N-[[2-(diethylaminomethyl)phenyl]methyl]propane-1,2-diamine
CID 103387469
2-[2-(diethylaminomethyl)phenyl]propan-1-ol
CID 117317101
N-ethyl-N-(quinolin-8-ylmethyl)ethanamine
CID 2320167
N-ethyl-N-[(3-methylnaphthalen-2-yl)methyl]ethanamine
CID 1388399

Frequently Asked Questions

What is the IUPAC name of N-[(2-dichlorobismuthanylphenyl)methyl]-N-ethylethanamine?
The IUPAC name of N-[(2-dichlorobismuthanylphenyl)methyl]-N-ethylethanamine (CID 138974312) is N-[(2-dichlorobismuthanylphenyl)methyl]-N-ethylethanamine.
What is the SMILES notation for N-[(2-dichlorobismuthanylphenyl)methyl]-N-ethylethanamine?
The canonical SMILES for N-[(2-dichlorobismuthanylphenyl)methyl]-N-ethylethanamine is CCN(CC)Cc1ccccc1[Bi](Cl)Cl.
What is the InChIKey of N-[(2-dichlorobismuthanylphenyl)methyl]-N-ethylethanamine?
The InChIKey is HDNDZDQKTPDPTH-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H16N.Bi.2ClH/c1-3-12(4-2)10-11-8-6-5-7-9-11;;;/h5-8H,3-4,10H2,1-2H3;;2*1H/q;+2;;/p-2.
What are the key properties of N-[(2-dichlorobismuthanylphenyl)methyl]-N-ethylethanamine?
N-[(2-dichlorobismuthanylphenyl)methyl]-N-ethylethanamine has a molecular weight of 442.14 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-dichlorobismuthanylphenyl)methyl]-N-ethylethanamine is sourced from PubChem (CID 138974312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).