N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2-chloroethoxy)aniline

C20H28ClNO2Si — CID 142566635

IUPACN-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2-chloroethoxy)aniline
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(Nc2cccc(OCCCl)c2)cc1
InChIInChI=1S/C20H28ClNO2Si/c1-20(2,3)25(4,5)24-18-11-9-16(10-12-18)22-17-7-6-8-19(15-17)23-14-13-21/h6-12,15,22H,13-14H2,1-5H3
InChIKeyNRUSMIORCKKNFE-UHFFFAOYSA-N
MW377.99 g/mol
LogP6.43
Rot. Bonds7

About N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2-chloroethoxy)aniline

N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2-chloroethoxy)aniline (PubChem CID 142566635) has the molecular formula C20H28ClNO2Si and a molecular weight of 377.99 g/mol. Its IUPAC name is N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2-chloroethoxy)aniline.

Molecular Properties

Compound NameN-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2-chloroethoxy)aniline
PubChem CID142566635
Molecular FormulaC20H28ClNO2Si
Molecular Weight377.99 g/mol
Exact Mass377.16
IUPAC NameN-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2-chloroethoxy)aniline
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(Nc2cccc(OCCCl)c2)cc1
InChIInChI=1S/C20H28ClNO2Si/c1-20(2,3)25(4,5)24-18-11-9-16(10-12-18)22-17-7-6-8-19(15-17)23-14-13-21/h6-12,15,22H,13-14H2,1-5H3
InChIKeyNRUSMIORCKKNFE-UHFFFAOYSA-N
XLogP6.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.99
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-3-propoxyaniline
CID 71334741
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
3-(2-methoxyethoxy)-N-phenylaniline
CID 156904975
N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1H-pyrazol-5-amine
CID 67009063
2-N-(3-undecoxyphenyl)-4-N,6-N-bis(4-undecoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 58789715
N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 140666668
2-[3-[tert-butyl(dimethyl)silyl]oxyanilino]-5-methylcyclohexa-2,5-diene-1,4-dione
CID 134846304
magnesium;tert-butyl-[4-(chloromethyl)phenoxy]-dimethylsilane;hydride
CID 173072447
3-hexoxy-N-(4-phenylphenyl)aniline
CID 90222153
2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-methylethanamine
CID 167728474
N-[4-(2-chloroethoxy)phenyl]-5-(2-methoxyphenyl)pyrimidin-2-amine
CID 67141573
N-[3-(2-aminoethoxy)phenyl]-4,6-dimethylpyrimidin-2-amine
CID 63121057

Frequently Asked Questions

What is the IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2-chloroethoxy)aniline?
The IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2-chloroethoxy)aniline (CID 142566635) is N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2-chloroethoxy)aniline.
What is the SMILES notation for N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2-chloroethoxy)aniline?
The canonical SMILES for N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2-chloroethoxy)aniline is CC(C)(C)[Si](C)(C)Oc1ccc(Nc2cccc(OCCCl)c2)cc1.
What is the InChIKey of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2-chloroethoxy)aniline?
The InChIKey is NRUSMIORCKKNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClNO2Si/c1-20(2,3)25(4,5)24-18-11-9-16(10-12-18)22-17-7-6-8-19(15-17)23-14-13-21/h6-12,15,22H,13-14H2,1-5H3.
What are the key properties of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2-chloroethoxy)aniline?
N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2-chloroethoxy)aniline has a molecular weight of 377.99 g/mol, XLogP of 6.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2-chloroethoxy)aniline is sourced from PubChem (CID 142566635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).