[4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-6-chloro-3-pyridinyl]methanamine

C19H27ClN2OSi — CID 87304349

IUPAC[4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-6-chloro-3-pyridinyl]methanamine
SMILESCC(C)(C)[Si](C)(C)OCc1ccccc1-c1cc(Cl)ncc1CN
InChIInChI=1S/C19H27ClN2OSi/c1-19(2,3)24(4,5)23-13-14-8-6-7-9-16(14)17-10-18(20)22-12-15(17)11-21/h6-10,12H,11,13,21H2,1-5H3
InChIKeyCLKMZUCCPKNCCF-UHFFFAOYSA-N
MW362.98 g/mol
LogP5.38
Rot. Bonds5

About [4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-6-chloro-3-pyridinyl]methanamine

[4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-6-chloro-3-pyridinyl]methanamine (PubChem CID 87304349) has the molecular formula C19H27ClN2OSi and a molecular weight of 362.98 g/mol. Its IUPAC name is [4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-6-chloro-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-6-chloro-3-pyridinyl]methanamine
PubChem CID87304349
Molecular FormulaC19H27ClN2OSi
Molecular Weight362.98 g/mol
Exact Mass362.16
IUPAC Name[4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-6-chloro-3-pyridinyl]methanamine
SMILESCC(C)(C)[Si](C)(C)OCc1ccccc1-c1cc(Cl)ncc1CN
InChIInChI=1S/C19H27ClN2OSi/c1-19(2,3)24(4,5)23-13-14-8-6-7-9-16(14)17-10-18(20)22-12-15(17)11-21/h6-10,12H,11,13,21H2,1-5H3
InChIKeyCLKMZUCCPKNCCF-UHFFFAOYSA-N
XLogP5.38
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.98
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2-((6-Chloropyridin-3-yl)dimethylsilyl)phenyl)methanol
CID 71306633
4-(2-chloro-4-pyridinyl)-1H-2,3-benzoxazine
CID 76312591
3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-N-[2-[5-(trifluoromethyl)pyridin-2-yl]ethyl]aniline
CID 58007556
[1-(3,5-Dichloro-2-methyl-4-pyridinyl)-4-(3,5-difluorophenyl)butoxy]-triethylsilane
CID 159492450
4-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-5-chloro-2-fluoroaniline
CID 168229875
2-[3-chloro-5-(fluoromethyl)-2-pyridinyl]-N-[(3,5-difluorophenyl)methyl]-2-triethylsilyloxyethanamine
CID 173601164
3-[2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-3-chloro-6-fluorocyclohexa-1,5-dien-1-amine
CID 176071277
tert-butyl-[(1R,2S)-2-(6-chloro-3-pyridinyl)cyclopentyl]oxy-dimethylsilane
CID 132967124
(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-[2-(6-chloro-3-pyridinyl)ethyl]-N-methyl-1-phenylpropan-2-amine
CID 134850861
[(4-Chlorophenyl)-(5-phenyl-3-pyridinyl)methoxy]-triethylsilane
CID 135067168
Tert-butyl-[(2-chloro-4-pyridinyl)-phenylmethoxy]-dimethylsilane
CID 154714151
Tert-butyl-dimethyl-[phenyl(pyridin-4-yl)methoxy]silane
CID 154715248

Frequently Asked Questions

What is the IUPAC name of [4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-6-chloro-3-pyridinyl]methanamine?
The IUPAC name of [4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-6-chloro-3-pyridinyl]methanamine (CID 87304349) is [4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-6-chloro-3-pyridinyl]methanamine.
What is the SMILES notation for [4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-6-chloro-3-pyridinyl]methanamine?
The canonical SMILES for [4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-6-chloro-3-pyridinyl]methanamine is CC(C)(C)[Si](C)(C)OCc1ccccc1-c1cc(Cl)ncc1CN.
What is the InChIKey of [4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-6-chloro-3-pyridinyl]methanamine?
The InChIKey is CLKMZUCCPKNCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2OSi/c1-19(2,3)24(4,5)23-13-14-8-6-7-9-16(14)17-10-18(20)22-12-15(17)11-21/h6-10,12H,11,13,21H2,1-5H3.
What are the key properties of [4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-6-chloro-3-pyridinyl]methanamine?
[4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-6-chloro-3-pyridinyl]methanamine has a molecular weight of 362.98 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-6-chloro-3-pyridinyl]methanamine is sourced from PubChem (CID 87304349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).