2-[4-chloro-1-tri(propan-2-yl)silylindol-3-yl]-N,N-dimethylethanamine

C21H35ClN2Si — CID 101182363

IUPAC2-[4-chloro-1-tri(propan-2-yl)silylindol-3-yl]-N,N-dimethylethanamine
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(CCN(C)C)c2c(Cl)cccc21
InChIInChI=1S/C21H35ClN2Si/c1-15(2)25(16(3)4,17(5)6)24-14-18(12-13-23(7)8)21-19(22)10-9-11-20(21)24/h9-11,14-17H,12-13H2,1-8H3
InChIKeyFKRNPJLIKJWOCJ-UHFFFAOYSA-N
MW379.06 g/mol
LogP6.42
Rot. Bonds7

About 2-[4-chloro-1-tri(propan-2-yl)silylindol-3-yl]-N,N-dimethylethanamine

2-[4-chloro-1-tri(propan-2-yl)silylindol-3-yl]-N,N-dimethylethanamine (PubChem CID 101182363) has the molecular formula C21H35ClN2Si and a molecular weight of 379.06 g/mol. Its IUPAC name is 2-[4-chloro-1-tri(propan-2-yl)silylindol-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-chloro-1-tri(propan-2-yl)silylindol-3-yl]-N,N-dimethylethanamine
PubChem CID101182363
Molecular FormulaC21H35ClN2Si
Molecular Weight379.06 g/mol
Exact Mass378.23
IUPAC Name2-[4-chloro-1-tri(propan-2-yl)silylindol-3-yl]-N,N-dimethylethanamine
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(CCN(C)C)c2c(Cl)cccc21
InChIInChI=1S/C21H35ClN2Si/c1-15(2)25(16(3)4,17(5)6)24-14-18(12-13-23(7)8)21-19(22)10-9-11-20(21)24/h9-11,14-17H,12-13H2,1-8H3
InChIKeyFKRNPJLIKJWOCJ-UHFFFAOYSA-N
XLogP6.42
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.06
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(dimethylamino)ethyl]-1-(1-methoxyethyl)indol-4-ol
CID 171520765
2-(5-chloroimidazo[1,2-a]pyridin-2-yl)-N,N-dimethylethanamine
CID 117133330
tri(propan-2-yl)-[4-[2-[1-tri(propan-2-yl)silyl-3H-benzo[cd]indol-4-yl]ethyl]-3H-benzo[cd]indol-1-yl]silane
CID 101180309
4-chloro-3-(iodomethyl)-1-methylindole;N,N-dimethylmethanamine
CID 69427691
2-[6-[2-(dimethylamino)ethyl]-2-pyridinyl]-N,N-dimethylethanamine
CID 23545476
3-[4-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-dimethylbutan-1-amine
CID 104837887
1-[4-chloro-1-[(4-methylphenyl)methyl]indol-3-yl]-N,N-dimethylmethanamine
CID 134092367
3H-benzo[cd]indol-1-yl-tri(propan-2-yl)silane
CID 101180307
3-(4-chloro-1-ethylindol-3-yl)propan-1-amine
CID 117119707
4-chloro-1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indole
CID 117172066
2,6-dichloro-N-[2-[2-(dimethylamino)ethyl]phenyl]aniline
CID 68796254
(4-chloro-1-methylindol-3-yl)methanol
CID 117119629

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-1-tri(propan-2-yl)silylindol-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-chloro-1-tri(propan-2-yl)silylindol-3-yl]-N,N-dimethylethanamine (CID 101182363) is 2-[4-chloro-1-tri(propan-2-yl)silylindol-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-chloro-1-tri(propan-2-yl)silylindol-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-chloro-1-tri(propan-2-yl)silylindol-3-yl]-N,N-dimethylethanamine is CC(C)[Si](C(C)C)(C(C)C)n1cc(CCN(C)C)c2c(Cl)cccc21.
What is the InChIKey of 2-[4-chloro-1-tri(propan-2-yl)silylindol-3-yl]-N,N-dimethylethanamine?
The InChIKey is FKRNPJLIKJWOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35ClN2Si/c1-15(2)25(16(3)4,17(5)6)24-14-18(12-13-23(7)8)21-19(22)10-9-11-20(21)24/h9-11,14-17H,12-13H2,1-8H3.
What are the key properties of 2-[4-chloro-1-tri(propan-2-yl)silylindol-3-yl]-N,N-dimethylethanamine?
2-[4-chloro-1-tri(propan-2-yl)silylindol-3-yl]-N,N-dimethylethanamine has a molecular weight of 379.06 g/mol, XLogP of 6.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-1-tri(propan-2-yl)silylindol-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 101182363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).