1-(2-dimethylbismuthanyl-4-methylphenyl)-N,N-dimethylmethanamine

C12H20BiN — CID 22382314

IUPAC1-(2-dimethylbismuthanyl-4-methylphenyl)-N,N-dimethylmethanamine
SMILESCc1ccc(CN(C)C)c([Bi](C)C)c1
InChIInChI=1S/C10H14N.2CH3.Bi/c1-9-4-6-10(7-5-9)8-11(2)3;;;/h4-6H,8H2,1-3H3;2*1H3;
InChIKeyPUZZTYWDIXSMBD-UHFFFAOYSA-N
MW387.28 g/mol
LogP2.02
Rot. Bonds3

About 1-(2-dimethylbismuthanyl-4-methylphenyl)-N,N-dimethylmethanamine

1-(2-dimethylbismuthanyl-4-methylphenyl)-N,N-dimethylmethanamine (PubChem CID 22382314) has the molecular formula C12H20BiN and a molecular weight of 387.28 g/mol. Its IUPAC name is 1-(2-dimethylbismuthanyl-4-methylphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(2-dimethylbismuthanyl-4-methylphenyl)-N,N-dimethylmethanamine
PubChem CID22382314
Molecular FormulaC12H20BiN
Molecular Weight387.28 g/mol
Exact Mass387.14
IUPAC Name1-(2-dimethylbismuthanyl-4-methylphenyl)-N,N-dimethylmethanamine
SMILESCc1ccc(CN(C)C)c([Bi](C)C)c1
InChIInChI=1S/C10H14N.2CH3.Bi/c1-9-4-6-10(7-5-9)8-11(2)3;;;/h4-6H,8H2,1-3H3;2*1H3;
InChIKeyPUZZTYWDIXSMBD-UHFFFAOYSA-N
XLogP2.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-dimethylbismuthanyl-2-methylphenyl)-N,N-dimethylmethanamine
CID 87791895
N,N-dimethyl-1-(4-methyl-2-nitrophenyl)methanamine
CID 174777427
(2,4-dimethylphenyl)-dimethylbismuthane
CID 87791947
1-[2,3-bis[(dimethylamino)methyl]-5-methylphenyl]-N,N-dimethylmethanamine
CID 59798709
N,N-dimethyl-1-(5-methyl-2-piperidin-4-ylphenyl)methanamine;ethane
CID 166120310
N,N-dimethyl-1-[2-(4-methylphenyl)phenyl]methanamine
CID 21301167
N,N-dimethyl-1-[5-methyl-2-[(3R)-oxolan-3-yl]phenyl]methanamine
CID 165400243
1-[(2-chloro-4-methylphenyl)methyl]-1-methylhydrazine
CID 142181266
2-ethyl-N,N,5-trimethylaniline
CID 59382459
4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 115213466
2-[(dimethylamino)methyl]-N-[(3-methylphenyl)methyl]aniline
CID 43435902
2-[[2-[(dimethylamino)methyl]-4-methylanilino]methyl]-6-methylpyridin-3-ol
CID 71968000

Frequently Asked Questions

What is the IUPAC name of 1-(2-dimethylbismuthanyl-4-methylphenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(2-dimethylbismuthanyl-4-methylphenyl)-N,N-dimethylmethanamine (CID 22382314) is 1-(2-dimethylbismuthanyl-4-methylphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(2-dimethylbismuthanyl-4-methylphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(2-dimethylbismuthanyl-4-methylphenyl)-N,N-dimethylmethanamine is Cc1ccc(CN(C)C)c([Bi](C)C)c1.
What is the InChIKey of 1-(2-dimethylbismuthanyl-4-methylphenyl)-N,N-dimethylmethanamine?
The InChIKey is PUZZTYWDIXSMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N.2CH3.Bi/c1-9-4-6-10(7-5-9)8-11(2)3;;;/h4-6H,8H2,1-3H3;2*1H3;.
What are the key properties of 1-(2-dimethylbismuthanyl-4-methylphenyl)-N,N-dimethylmethanamine?
1-(2-dimethylbismuthanyl-4-methylphenyl)-N,N-dimethylmethanamine has a molecular weight of 387.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-dimethylbismuthanyl-4-methylphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 22382314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).