methyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate

C16H20N2O2 — CID 60942839

IUPACmethyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NCC2CC3C=CC2C3)c1
InChIInChI=1S/C16H20N2O2/c1-20-16(19)18-15-4-2-3-14(9-15)17-10-13-8-11-5-6-12(13)7-11/h2-6,9,11-13,17H,7-8,10H2,1H3,(H,18,19)
InChIKeyWIWJAFTZGQCNLV-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.49
Rot. Bonds4

About methyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate

methyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate (PubChem CID 60942839) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is methyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate
PubChem CID60942839
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Namemethyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NCC2CC3C=CC2C3)c1
InChIInChI=1S/C16H20N2O2/c1-20-16(19)18-15-4-2-3-14(9-15)17-10-13-8-11-5-6-12(13)7-11/h2-6,9,11-13,17H,7-8,10H2,1H3,(H,18,19)
InChIKeyWIWJAFTZGQCNLV-UHFFFAOYSA-N
XLogP3.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.49
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

tert-butyl N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate
CID 107240495
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-bromoaniline
CID 43762851
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline
CID 93281000
methyl N-[3-(pyrrolidin-2-ylmethylamino)phenyl]carbamate
CID 106637935
3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)benzenesulfonamide
CID 43761234
3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-N,N-dimethylbenzenesulfonamide
CID 43784813
methyl N-[3-(oxolan-2-ylmethylamino)phenyl]carbamate
CID 82835955
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylurea
CID 4610236
3-[[3-(methoxycarbonylamino)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 167827345
4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorobenzamide
CID 43789197
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyridin-3-amine
CID 98119288
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dimethoxyaniline
CID 43758056

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate?
The IUPAC name of methyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate (CID 60942839) is methyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate.
What is the SMILES notation for methyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate?
The canonical SMILES for methyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate is COC(=O)Nc1cccc(NCC2CC3C=CC2C3)c1.
What is the InChIKey of methyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate?
The InChIKey is WIWJAFTZGQCNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-20-16(19)18-15-4-2-3-14(9-15)17-10-13-8-11-5-6-12(13)7-11/h2-6,9,11-13,17H,7-8,10H2,1H3,(H,18,19).
What are the key properties of methyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate?
methyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate has a molecular weight of 272.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate is sourced from PubChem (CID 60942839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).