tert-butyl N-[[(1R)-6-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate

C16H22INO2 — CID 59021765

IUPACtert-butyl N-[[(1R)-6-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1CCCc2cc(I)ccc21
InChIInChI=1S/C16H22INO2/c1-16(2,3)20-15(19)18-10-12-6-4-5-11-9-13(17)7-8-14(11)12/h7-9,12H,4-6,10H2,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeyBRLWXXOPGXKJMG-LBPRGKRZSA-N
MW387.26 g/mol
LogP4.24
Rot. Bonds2

About tert-butyl N-[[(1R)-6-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate

tert-butyl N-[[(1R)-6-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate (PubChem CID 59021765) has the molecular formula C16H22INO2 and a molecular weight of 387.26 g/mol. Its IUPAC name is tert-butyl N-[[(1R)-6-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(1R)-6-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate
PubChem CID59021765
Molecular FormulaC16H22INO2
Molecular Weight387.26 g/mol
Exact Mass387.07
IUPAC Nametert-butyl N-[[(1R)-6-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1CCCc2cc(I)ccc21
InChIInChI=1S/C16H22INO2/c1-16(2,3)20-15(19)18-10-12-6-4-5-11-9-13(17)7-8-14(11)12/h7-9,12H,4-6,10H2,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeyBRLWXXOPGXKJMG-LBPRGKRZSA-N
XLogP4.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.26
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Methyl (3,3-diphenylpropyl)carbamate
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tert-butyl ((cis)-4-(((1S,2R)-2-phenylcyclopropyl)amino)cyclohexyl)carbamate
CID 90396978
tert-butyl N-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]carbamate
CID 137951523
Tert-butyl n-[2-phenyl-2-(piperidin-4-yl)ethyl]carbamate
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tert-butyl N-{[2-(piperidin-4-yl)phenyl]methyl}carbamate
CID 138991024
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tert-butyl N-[3-fluoro-4-(4-iodophenyl)-1-phenylbut-3-en-2-yl]carbamate
CID 134853423

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(1R)-6-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(1R)-6-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate (CID 59021765) is tert-butyl N-[[(1R)-6-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(1R)-6-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(1R)-6-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@@H]1CCCc2cc(I)ccc21.
What is the InChIKey of tert-butyl N-[[(1R)-6-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate?
The InChIKey is BRLWXXOPGXKJMG-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22INO2/c1-16(2,3)20-15(19)18-10-12-6-4-5-11-9-13(17)7-8-14(11)12/h7-9,12H,4-6,10H2,1-3H3,(H,18,19)/t12-/m0/s1.
What are the key properties of tert-butyl N-[[(1R)-6-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate?
tert-butyl N-[[(1R)-6-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate has a molecular weight of 387.26 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(1R)-6-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]carbamate is sourced from PubChem (CID 59021765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).