tert-butyl N-[2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]carbamate

C17H25BrN2O2 — CID 103780185

IUPACtert-butyl N-[2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C17H25BrN2O2/c1-17(2,3)22-16(21)20-9-8-19-15-7-5-12-10-14(18)6-4-13(12)11-15/h4,6,10,15,19H,5,7-9,11H2,1-3H3,(H,20,21)
InChIKeyJAFRVCJYMVNJAS-UHFFFAOYSA-N
MW369.30 g/mol
LogP3.42
Rot. Bonds4

About tert-butyl N-[2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]carbamate

tert-butyl N-[2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]carbamate (PubChem CID 103780185) has the molecular formula C17H25BrN2O2 and a molecular weight of 369.30 g/mol. Its IUPAC name is tert-butyl N-[2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]carbamate
PubChem CID103780185
Molecular FormulaC17H25BrN2O2
Molecular Weight369.30 g/mol
Exact Mass368.11
IUPAC Nametert-butyl N-[2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C17H25BrN2O2/c1-17(2,3)22-16(21)20-9-8-19-15-7-5-12-10-14(18)6-4-13(12)11-15/h4,6,10,15,19H,5,7-9,11H2,1-3H3,(H,20,21)
InChIKeyJAFRVCJYMVNJAS-UHFFFAOYSA-N
XLogP3.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanoic acid
CID 63627449
6-bromo-N-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627115
2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(2-methylpropyl)acetamide
CID 115920101
1-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 103784233
tert-butyl N-[3-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2-hydroxypropyl]carbamate
CID 118929045
6-bromo-N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627456
6-bromo-N-[2-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63625332
tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate
CID 59505686
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methoxybenzamide
CID 66663510
2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid
CID 65055516
tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate
CID 107241352
N-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 10065196

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]carbamate (CID 103780185) is tert-butyl N-[2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNC1CCc2cc(Br)ccc2C1.
What is the InChIKey of tert-butyl N-[2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]carbamate?
The InChIKey is JAFRVCJYMVNJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O2/c1-17(2,3)22-16(21)20-9-8-19-15-7-5-12-10-14(18)6-4-13(12)11-15/h4,6,10,15,19H,5,7-9,11H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]carbamate?
tert-butyl N-[2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]carbamate has a molecular weight of 369.30 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]carbamate is sourced from PubChem (CID 103780185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).