CID 138973114

C18H26BiN2O — CID 138973114

IUPAC—
SMILESCN(C)Cc1ccccc1[Bi]c1ccccc1CN(C)C.O
InChIInChI=1S/2C9H12N.Bi.H2O/c2*1-10(2)8-9-6-4-3-5-7-9;;/h2*3-6H,8H2,1-2H3;;1H2
InChIKeyFJEJXPAFUBJFDY-UHFFFAOYSA-N
MW495.40 g/mol
LogP0.64
Rot. Bonds6

About CID 138973114

CID 138973114 (PubChem CID 138973114) has the molecular formula C18H26BiN2O and a molecular weight of 495.40 g/mol.

Molecular Properties

Compound NameCID 138973114
PubChem CID138973114
Molecular FormulaC18H26BiN2O
Molecular Weight495.40 g/mol
Exact Mass495.18
IUPAC Name—
SMILESCN(C)Cc1ccccc1[Bi]c1ccccc1CN(C)C.O
InChIInChI=1S/2C9H12N.Bi.H2O/c2*1-10(2)8-9-6-4-3-5-7-9;;/h2*3-6H,8H2,1-2H3;;1H2
InChIKeyFJEJXPAFUBJFDY-UHFFFAOYSA-N
XLogP0.64
TPSA37.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.40
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(dimethylamino)methyl]phenoxy]boronic acid
CID 54036588
1-[2-[[2-[(dimethylamino)methyl]phenyl]methyl]phenyl]-N,N-dimethylmethanamine
CID 167700248
N,N-dimethyl-1-(2-propylphenyl)methanamine
CID 12709346
1-[2-(chloromethyl)phenyl]-N,N-dimethylmethanamine
CID 14459148
[2-[(dimethylamino)methyl]phenyl]methanamine
CID 4962718
CID 138974220
CID 138974220
hexamagnesium;hexakis([2-[(dimethylamino)methyl]phenyl]azanide)
CID 139241421
Tris(2-((dimethylamino)methyl)phenyl)germane
CID 15772942
1-[2-[[2-[(dimethylamino)methyl]phenyl]-methylphosphanyl]phenyl]-N,N-dimethylmethanamine
CID 11050518
1-(2-dimethylstannylphenyl)-N,N-dimethylmethanamine
CID 14950094
1-(2-tert-butylphenyl)-N,N-dimethylmethanamine
CID 21304895
N-[(4-chlorophenyl)methyl]-1-[2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine
CID 18933658

Frequently Asked Questions

What is the IUPAC name of CID 138973114?
The IUPAC name of CID 138973114 (CID 138973114) is not available.
What is the SMILES notation for CID 138973114?
The canonical SMILES for CID 138973114 is CN(C)Cc1ccccc1[Bi]c1ccccc1CN(C)C.O.
What is the InChIKey of CID 138973114?
The InChIKey is FJEJXPAFUBJFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H12N.Bi.H2O/c2*1-10(2)8-9-6-4-3-5-7-9;;/h2*3-6H,8H2,1-2H3;;1H2.
What are the key properties of CID 138973114?
CID 138973114 has a molecular weight of 495.40 g/mol, XLogP of 0.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 138973114 is sourced from PubChem (CID 138973114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).