N-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-cyclopropylpropyl]-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)aniline

C36H49NO3Si — CID 66627569

IUPACN-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-cyclopropylpropyl]-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)aniline
SMILESCOc1ccc2c(c1)CCC(c1ccc(OC)cc1NC(CCc1ccc(O[Si](C)(C)C(C)(C)C)cc1)C1CC1)C2
InChIInChI=1S/C36H49NO3Si/c1-36(2,3)41(6,7)40-30-16-8-25(9-17-30)10-21-34(26-11-12-26)37-35-24-32(39-5)19-20-33(35)29-14-13-28-23-31(38-4)18-15-27(28)22-29/h8-9,15-20,23-24,26,29,34,37H,10-14,21-22H2,1-7H3
InChIKeySZVWABYCAODYGP-UHFFFAOYSA-N
MW571.88 g/mol
LogP9.18
Rot. Bonds11

About N-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-cyclopropylpropyl]-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)aniline

N-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-cyclopropylpropyl]-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)aniline (PubChem CID 66627569) has the molecular formula C36H49NO3Si and a molecular weight of 571.88 g/mol. Its IUPAC name is N-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-cyclopropylpropyl]-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)aniline.

Molecular Properties

Compound NameN-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-cyclopropylpropyl]-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)aniline
PubChem CID66627569
Molecular FormulaC36H49NO3Si
Molecular Weight571.88 g/mol
Exact Mass571.35
IUPAC NameN-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-cyclopropylpropyl]-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)aniline
SMILESCOc1ccc2c(c1)CCC(c1ccc(OC)cc1NC(CCc1ccc(O[Si](C)(C)C(C)(C)C)cc1)C1CC1)C2
InChIInChI=1S/C36H49NO3Si/c1-36(2,3)41(6,7)40-30-16-8-25(9-17-30)10-21-34(26-11-12-26)37-35-24-32(39-5)19-20-33(35)29-14-13-28-23-31(38-4)18-15-27(28)22-29/h8-9,15-20,23-24,26,29,34,37H,10-14,21-22H2,1-7H3
InChIKeySZVWABYCAODYGP-UHFFFAOYSA-N
XLogP9.18
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.88
LogP ≤ 59.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-cyclopropylpropyl]-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)aniline?
The IUPAC name of N-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-cyclopropylpropyl]-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)aniline (CID 66627569) is N-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-cyclopropylpropyl]-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)aniline.
What is the SMILES notation for N-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-cyclopropylpropyl]-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)aniline?
The canonical SMILES for N-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-cyclopropylpropyl]-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)aniline is COc1ccc2c(c1)CCC(c1ccc(OC)cc1NC(CCc1ccc(O[Si](C)(C)C(C)(C)C)cc1)C1CC1)C2.
What is the InChIKey of N-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-cyclopropylpropyl]-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)aniline?
The InChIKey is SZVWABYCAODYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H49NO3Si/c1-36(2,3)41(6,7)40-30-16-8-25(9-17-30)10-21-34(26-11-12-26)37-35-24-32(39-5)19-20-33(35)29-14-13-28-23-31(38-4)18-15-27(28)22-29/h8-9,15-20,23-24,26,29,34,37H,10-14,21-22H2,1-7H3.
What are the key properties of N-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-cyclopropylpropyl]-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)aniline?
N-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-cyclopropylpropyl]-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)aniline has a molecular weight of 571.88 g/mol, XLogP of 9.18, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-cyclopropylpropyl]-5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)aniline is sourced from PubChem (CID 66627569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).