(1R)-N-benzyl-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanamine

C16H23N — CID 129428816

IUPAC(1R)-N-benzyl-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanamine
SMILESC[C@@H](NCc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C16H23N/c1-12(16-10-14-7-8-15(16)9-14)17-11-13-5-3-2-4-6-13/h2-6,12,14-17H,7-11H2,1H3/t12-,14+,15+,16+/m1/s1
InChIKeyKJOMGVRJZXODBN-OEAJRASXSA-N
MW229.37 g/mol
LogP3.60
Rot. Bonds4

About (1R)-N-benzyl-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanamine

(1R)-N-benzyl-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanamine (PubChem CID 129428816) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is (1R)-N-benzyl-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanamine.

Molecular Properties

Compound Name(1R)-N-benzyl-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanamine
PubChem CID129428816
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name(1R)-N-benzyl-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanamine
SMILESC[C@@H](NCc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C16H23N/c1-12(16-10-14-7-8-15(16)9-14)17-11-13-5-3-2-4-6-13/h2-6,12,14-17H,7-11H2,1H3/t12-,14+,15+,16+/m1/s1
InChIKeyKJOMGVRJZXODBN-OEAJRASXSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-N-benzyl-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanamine with MolForge

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Related Compounds

N-benzyl-1-(2-bicyclo[2.2.1]heptanyl)ethanamine
CID 43178334
1-(2-bicyclo[2.2.1]heptanyl)-N-(2-phenylethyl)ethanamine
CID 43178312
(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(3-fluorophenyl)methyl]ethanamine
CID 98074301
(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 129428935
(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2-bromophenyl)methyl]ethanamine
CID 129428903
1-(2-bicyclo[2.2.1]heptanyl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 43081550
N-benzyl-N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]oxamide
CID 108508984
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 4851511
4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-2,6-dibromophenol
CID 103602736
N-(1-benzofuran-3-ylmethyl)-1-(2-bicyclo[2.2.1]heptanyl)ethanamine
CID 80701361
1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66398378
1-(2-bicyclo[2.2.1]heptanyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 115685934

Frequently Asked Questions

What is the IUPAC name of (1R)-N-benzyl-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanamine?
The IUPAC name of (1R)-N-benzyl-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanamine (CID 129428816) is (1R)-N-benzyl-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanamine.
What is the SMILES notation for (1R)-N-benzyl-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanamine?
The canonical SMILES for (1R)-N-benzyl-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanamine is C[C@@H](NCc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (1R)-N-benzyl-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanamine?
The InChIKey is KJOMGVRJZXODBN-OEAJRASXSA-N. The full InChI is InChI=1S/C16H23N/c1-12(16-10-14-7-8-15(16)9-14)17-11-13-5-3-2-4-6-13/h2-6,12,14-17H,7-11H2,1H3/t12-,14+,15+,16+/m1/s1.
What are the key properties of (1R)-N-benzyl-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanamine?
(1R)-N-benzyl-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanamine has a molecular weight of 229.37 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-benzyl-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanamine is sourced from PubChem (CID 129428816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).