tert-butyl N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate

C19H26N2O2 — CID 107240495

IUPACtert-butyl N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NCC2CC3C=CC2C3)cc1
InChIInChI=1S/C19H26N2O2/c1-19(2,3)23-18(22)21-17-8-6-16(7-9-17)20-12-15-11-13-4-5-14(15)10-13/h4-9,13-15,20H,10-12H2,1-3H3,(H,21,22)
InChIKeyMNYQJCZRIDHFRA-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.66
Rot. Bonds4

About tert-butyl N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate

tert-butyl N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate (PubChem CID 107240495) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is tert-butyl N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate
PubChem CID107240495
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Nametert-butyl N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NCC2CC3C=CC2C3)cc1
InChIInChI=1S/C19H26N2O2/c1-19(2,3)23-18(22)21-17-8-6-16(7-9-17)20-12-15-11-13-4-5-14(15)10-13/h4-9,13-15,20H,10-12H2,1-3H3,(H,21,22)
InChIKeyMNYQJCZRIDHFRA-UHFFFAOYSA-N
XLogP4.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate
CID 60942839
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline
CID 93281000
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-methoxypyridin-3-amine
CID 43755848
1-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]pyrrolidin-2-one
CID 43780085
tert-butyl N-[4-(prop-2-enylamino)phenyl]carbamate
CID 112980140
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
tert-butyl 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylpiperidine-1-carboxylate
CID 104956449
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)hydroxylamine
CID 13440364
tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate
CID 103818453
3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-N,2,2-trimethylpropanamide
CID 103824427
tert-butyl N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]carbamate
CID 112983477
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,5-dichloroaniline
CID 43760335

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate (CID 107240495) is tert-butyl N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(NCC2CC3C=CC2C3)cc1.
What is the InChIKey of tert-butyl N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate?
The InChIKey is MNYQJCZRIDHFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-19(2,3)23-18(22)21-17-8-6-16(7-9-17)20-12-15-11-13-4-5-14(15)10-13/h4-9,13-15,20H,10-12H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate?
tert-butyl N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate has a molecular weight of 314.43 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate is sourced from PubChem (CID 107240495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).