2-chloro-6-[2-tri(propan-2-yl)silylethynyl]aniline

C17H26ClNSi — CID 123985583

IUPAC2-chloro-6-[2-tri(propan-2-yl)silylethynyl]aniline
SMILESCC(C)[Si](C#Cc1cccc(Cl)c1N)(C(C)C)C(C)C
InChIInChI=1S/C17H26ClNSi/c1-12(2)20(13(3)4,14(5)6)11-10-15-8-7-9-16(18)17(15)19/h7-9,12-14H,19H2,1-6H3
InChIKeyUWDOZDHYJARZCX-UHFFFAOYSA-N
MW307.94 g/mol
LogP5.49
Rot. Bonds3

About 2-chloro-6-[2-tri(propan-2-yl)silylethynyl]aniline

2-chloro-6-[2-tri(propan-2-yl)silylethynyl]aniline (PubChem CID 123985583) has the molecular formula C17H26ClNSi and a molecular weight of 307.94 g/mol. Its IUPAC name is 2-chloro-6-[2-tri(propan-2-yl)silylethynyl]aniline.

Molecular Properties

Compound Name2-chloro-6-[2-tri(propan-2-yl)silylethynyl]aniline
PubChem CID123985583
Molecular FormulaC17H26ClNSi
Molecular Weight307.94 g/mol
Exact Mass307.15
IUPAC Name2-chloro-6-[2-tri(propan-2-yl)silylethynyl]aniline
SMILESCC(C)[Si](C#Cc1cccc(Cl)c1N)(C(C)C)C(C)C
InChIInChI=1S/C17H26ClNSi/c1-12(2)20(13(3)4,14(5)6)11-10-15-8-7-9-16(18)17(15)19/h7-9,12-14H,19H2,1-6H3
InChIKeyUWDOZDHYJARZCX-UHFFFAOYSA-N
XLogP5.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.94
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tri(propan-2-yl)-[2-[5-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]ethynyl]silane
CID 169050439
tri(propan-2-yl)-[2-[2-[2-[2-[2-[3-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]ethynyl]phenyl]ethynyl]-3-pyridinyl]ethynyl]silane
CID 56958696
tri(propan-2-yl)-[2-[20-[2-tri(propan-2-yl)silylethynyl]-2,4,11,13,15,22-hexazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaen-6-yl]ethynyl]silane
CID 102459339
tri(propan-2-yl)-[2-[8-[8-[8-[2-tri(propan-2-yl)silylethynyl]anthracen-1-yl]anthracen-1-yl]anthracen-1-yl]ethynyl]silane
CID 101376385
1-ethynylpentacene;2-pentacen-1-ylethynyl-tri(propan-2-yl)silane
CID 162196732
2-(6-ethynyl-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)ethynyl-tri(propan-2-yl)silane
CID 102419501
2-chloro-6-propan-2-ylaniline
CID 18981698
3-methyl-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol
CID 174110724
2-(5-bromo-2-fluorophenyl)ethynyl-tri(propan-2-yl)silane
CID 176789274
6-amino-5-[2-tri(propan-2-yl)silylethynyl]-1H-pyrimidin-2-one
CID 156692419
9,18-bis[2-tri(propan-2-yl)silylethynyl]hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene-12,22-dione
CID 102442250
2-phenoxy-6-[2-tri(propan-2-yl)silylethynyl]benzoic acid
CID 177453222

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-tri(propan-2-yl)silylethynyl]aniline?
The IUPAC name of 2-chloro-6-[2-tri(propan-2-yl)silylethynyl]aniline (CID 123985583) is 2-chloro-6-[2-tri(propan-2-yl)silylethynyl]aniline.
What is the SMILES notation for 2-chloro-6-[2-tri(propan-2-yl)silylethynyl]aniline?
The canonical SMILES for 2-chloro-6-[2-tri(propan-2-yl)silylethynyl]aniline is CC(C)[Si](C#Cc1cccc(Cl)c1N)(C(C)C)C(C)C.
What is the InChIKey of 2-chloro-6-[2-tri(propan-2-yl)silylethynyl]aniline?
The InChIKey is UWDOZDHYJARZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNSi/c1-12(2)20(13(3)4,14(5)6)11-10-15-8-7-9-16(18)17(15)19/h7-9,12-14H,19H2,1-6H3.
What are the key properties of 2-chloro-6-[2-tri(propan-2-yl)silylethynyl]aniline?
2-chloro-6-[2-tri(propan-2-yl)silylethynyl]aniline has a molecular weight of 307.94 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-tri(propan-2-yl)silylethynyl]aniline is sourced from PubChem (CID 123985583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).