1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]methanamine

C20H28N2O — CID 119109325

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]methanamine
SMILESC1=CC2CC1CC2CNCc1ccccc1CN1CCOCC1
InChIInChI=1S/C20H28N2O/c1-2-4-19(15-22-7-9-23-10-8-22)18(3-1)13-21-14-20-12-16-5-6-17(20)11-16/h1-6,16-17,20-21H,7-15H2
InChIKeyIMRJXDJEZPHCGS-UHFFFAOYSA-N
MW312.46 g/mol
LogP2.82
Rot. Bonds6

About 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]methanamine

1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]methanamine (PubChem CID 119109325) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]methanamine
PubChem CID119109325
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]methanamine
SMILESC1=CC2CC1CC2CNCc1ccccc1CN1CCOCC1
InChIInChI=1S/C20H28N2O/c1-2-4-19(15-22-7-9-23-10-8-22)18(3-1)13-21-14-20-12-16-5-6-17(20)11-16/h1-6,16-17,20-21H,7-15H2
InChIKeyIMRJXDJEZPHCGS-UHFFFAOYSA-N
XLogP2.82
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]methanamine with MolForge

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Related Compounds

1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanamine
CID 78816264
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropanamine
CID 62439214
1-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[(2-methylphenyl)methyl]piperazine
CID 1270783
4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine
CID 13041711
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-methyl-3-nitrophenyl)methyl]methanamine
CID 103114664
1-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 11897034
N-(1,3-benzodioxol-5-ylmethyl)-1-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanamine
CID 98130164
1-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[(2-nitrophenyl)methyl]piperazine
CID 99735157
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-[(2-nitrophenyl)methyl]piperazine
CID 2900084
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline
CID 93281000
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine
CID 63362740
4-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-N,N-dimethylaniline
CID 43225497

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]methanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]methanamine (CID 119109325) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]methanamine is C1=CC2CC1CC2CNCc1ccccc1CN1CCOCC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]methanamine?
The InChIKey is IMRJXDJEZPHCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-2-4-19(15-22-7-9-23-10-8-22)18(3-1)13-21-14-20-12-16-5-6-17(20)11-16/h1-6,16-17,20-21H,7-15H2.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]methanamine?
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]methanamine has a molecular weight of 312.46 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 119109325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).