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

C20H28N2O — CID 78816264

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanamine
SMILESC1=CC2CC1CC2CNCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H28N2O/c1-3-17(15-22-7-9-23-10-8-22)4-2-16(1)13-21-14-20-12-18-5-6-19(20)11-18/h1-6,18-21H,7-15H2
InChIKeyYPXIJCJNTGONIJ-UHFFFAOYSA-N
MW312.46 g/mol
LogP2.82
Rot. Bonds6

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

1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanamine (PubChem CID 78816264) 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-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanamine
PubChem CID78816264
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanamine
SMILESC1=CC2CC1CC2CNCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H28N2O/c1-3-17(15-22-7-9-23-10-8-22)4-2-16(1)13-21-14-20-12-18-5-6-19(20)11-18/h1-6,18-21H,7-15H2
InChIKeyYPXIJCJNTGONIJ-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'}

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Related Compounds

1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]methanamine
CID 119109325
4-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-N,N-dimethylaniline
CID 43225497
N-(1,3-benzodioxol-5-ylmethyl)-1-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanamine
CID 98130164
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-morpholin-4-ylaniline
CID 43769752
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
CID 117318560
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydro-1H-imidazol-2-amine
CID 67704101
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-chlorophenyl)methyl]methanamine
CID 43225192
1-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 18389231
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809733
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(3-methyl-4-methylsulfonylphenyl)methyl]methanamine
CID 75379874
1-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine
CID 92752948
1-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine
CID 7120170

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanamine (CID 78816264) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanamine is C1=CC2CC1CC2CNCc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanamine?
The InChIKey is YPXIJCJNTGONIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-3-17(15-22-7-9-23-10-8-22)4-2-16(1)13-21-14-20-12-18-5-6-19(20)11-18/h1-6,18-21H,7-15H2.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanamine?
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[4-(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-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 78816264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).