CID 67562885

C21H30NOSi — CID 67562885

IUPAC—
SMILESCc1ccc(NCc2ccc(C(C)(C)C)cc2O[Si](C)C)cc1C
InChIInChI=1S/C21H30NOSi/c1-15-8-11-19(12-16(15)2)22-14-17-9-10-18(21(3,4)5)13-20(17)23-24(6)7/h8-13,22H,14H2,1-7H3
InChIKeyGYDMWDIJVWWRHU-UHFFFAOYSA-N
MW340.56 g/mol
LogP5.84
Rot. Bonds5

About CID 67562885

CID 67562885 (PubChem CID 67562885) has the molecular formula C21H30NOSi and a molecular weight of 340.56 g/mol.

Molecular Properties

Compound NameCID 67562885
PubChem CID67562885
Molecular FormulaC21H30NOSi
Molecular Weight340.56 g/mol
Exact Mass340.21
IUPAC Name—
SMILESCc1ccc(NCc2ccc(C(C)(C)C)cc2O[Si](C)C)cc1C
InChIInChI=1S/C21H30NOSi/c1-15-8-11-19(12-16(15)2)22-14-17-9-10-18(21(3,4)5)13-20(17)23-24(6)7/h8-13,22H,14H2,1-7H3
InChIKeyGYDMWDIJVWWRHU-UHFFFAOYSA-N
XLogP5.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.56
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 70280066
CID 70280066
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 775457
N-[(4-tert-butylphenyl)methyl]-3,4-dimethylaniline
CID 28524513
N-[(2,5-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 791602
N-[(2-cyclopentyloxyphenyl)methyl]-3,4-dimethylaniline
CID 39405460
4-tert-butyl-N-[(3,4-dimethylphenyl)methyl]aniline
CID 43758536
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-3,4-dimethylaniline;oxalic acid
CID 172885008
N-[(2,4-dimethoxyphenyl)methyl]-3-iodo-4-methylaniline
CID 43716144
4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 63455858
N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
CID 28555155
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3,4-dimethylaniline
CID 78883616
N-[(5-fluoro-2-methylphenyl)methyl]-4-methoxy-3-methylaniline
CID 115967998

Frequently Asked Questions

What is the IUPAC name of CID 67562885?
The IUPAC name of CID 67562885 (CID 67562885) is not available.
What is the SMILES notation for CID 67562885?
The canonical SMILES for CID 67562885 is Cc1ccc(NCc2ccc(C(C)(C)C)cc2O[Si](C)C)cc1C.
What is the InChIKey of CID 67562885?
The InChIKey is GYDMWDIJVWWRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30NOSi/c1-15-8-11-19(12-16(15)2)22-14-17-9-10-18(21(3,4)5)13-20(17)23-24(6)7/h8-13,22H,14H2,1-7H3.
What are the key properties of CID 67562885?
CID 67562885 has a molecular weight of 340.56 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67562885 is sourced from PubChem (CID 67562885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).