N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-morpholin-4-ylaniline

C18H24N2O — CID 43769752

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-morpholin-4-ylaniline
SMILESC1=CC2CC1CC2CNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H24N2O/c1-2-15-11-14(1)12-16(15)13-19-17-3-5-18(6-4-17)20-7-9-21-10-8-20/h1-6,14-16,19H,7-13H2
InChIKeyRYROCQZURLQAGI-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.15
Rot. Bonds4

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-morpholin-4-ylaniline

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-morpholin-4-ylaniline (PubChem CID 43769752) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-morpholin-4-ylaniline.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-morpholin-4-ylaniline
PubChem CID43769752
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-morpholin-4-ylaniline
SMILESC1=CC2CC1CC2CNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H24N2O/c1-2-15-11-14(1)12-16(15)13-19-17-3-5-18(6-4-17)20-7-9-21-10-8-20/h1-6,14-16,19H,7-13H2
InChIKeyRYROCQZURLQAGI-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43778721
N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methanesulfonamide
CID 43787041
N-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline
CID 20785895
N-(3-methylbutyl)-4-morpholin-4-ylaniline
CID 28675688
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-bromoaniline
CID 43762851
1-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-(2-methyl-4-morpholin-4-ylphenyl)-1-propan-2-ylurea
CID 98259935
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1,3-benzothiazol-6-amine
CID 43780745
N-butyl-4-morpholin-4-ylaniline
CID 28675754
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethyl-1,3-benzoxazol-5-amine
CID 60931302
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 43782804
N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylphenyl]acetamide
CID 43778979
N'-tert-butyl-N-(4-morpholin-4-ylphenyl)ethane-1,2-diamine
CID 107444694

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-morpholin-4-ylaniline?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-morpholin-4-ylaniline (CID 43769752) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-morpholin-4-ylaniline.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-morpholin-4-ylaniline?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-morpholin-4-ylaniline is C1=CC2CC1CC2CNc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-morpholin-4-ylaniline?
The InChIKey is RYROCQZURLQAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-15-11-14(1)12-16(15)13-19-17-3-5-18(6-4-17)20-7-9-21-10-8-20/h1-6,14-16,19H,7-13H2.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-morpholin-4-ylaniline?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-morpholin-4-ylaniline has a molecular weight of 284.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-morpholin-4-ylaniline is sourced from PubChem (CID 43769752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).