1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-chlorophenyl)methyl]methanamine

C15H18ClN — CID 43225192

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-chlorophenyl)methyl]methanamine
SMILESClc1ccccc1CNCC1CC2C=CC1C2
InChIInChI=1S/C15H18ClN/c16-15-4-2-1-3-13(15)9-17-10-14-8-11-5-6-12(14)7-11/h1-6,11-12,14,17H,7-10H2
InChIKeyKVSWVOMDWZEFIF-UHFFFAOYSA-N
MW247.77 g/mol
LogP3.64
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-chlorophenyl)methyl]methanamine

1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-chlorophenyl)methyl]methanamine (PubChem CID 43225192) has the molecular formula C15H18ClN and a molecular weight of 247.77 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-chlorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-chlorophenyl)methyl]methanamine
PubChem CID43225192
Molecular FormulaC15H18ClN
Molecular Weight247.77 g/mol
Exact Mass247.11
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-chlorophenyl)methyl]methanamine
SMILESClc1ccccc1CNCC1CC2C=CC1C2
InChIInChI=1S/C15H18ClN/c16-15-4-2-1-3-13(15)9-17-10-14-8-11-5-6-12(14)7-11/h1-6,11-12,14,17H,7-10H2
InChIKeyKVSWVOMDWZEFIF-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chlorobenzamide
CID 3931382
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-methyl-3-nitrophenyl)methyl]methanamine
CID 103114664
2-[[(2-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 64926908
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline
CID 93281000
4-[(2-bicyclo[2.2.1]hept-5-enylmethylamino)methyl]-N,N-dimethylaniline
CID 43225497
N-[(2-chlorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
CID 95731898
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)hydroxylamine
CID 13440364
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanamine
CID 78816264
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine
CID 53273377
2-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol
CID 98042869

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-chlorophenyl)methyl]methanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-chlorophenyl)methyl]methanamine (CID 43225192) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-chlorophenyl)methyl]methanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-chlorophenyl)methyl]methanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-chlorophenyl)methyl]methanamine is Clc1ccccc1CNCC1CC2C=CC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-chlorophenyl)methyl]methanamine?
The InChIKey is KVSWVOMDWZEFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN/c16-15-4-2-1-3-13(15)9-17-10-14-8-11-5-6-12(14)7-11/h1-6,11-12,14,17H,7-10H2.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-chlorophenyl)methyl]methanamine?
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-chlorophenyl)methyl]methanamine has a molecular weight of 247.77 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-chlorophenyl)methyl]methanamine is sourced from PubChem (CID 43225192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).