[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

C21H24N2O2 — CID 120785642

IUPAC[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESNC[C@H]1CC[C@@H](C(=O)N2Cc3ccccc3C(c3ccccc3)C2)O1
InChIInChI=1S/C21H24N2O2/c22-12-17-10-11-20(25-17)21(24)23-13-16-8-4-5-9-18(16)19(14-23)15-6-2-1-3-7-15/h1-9,17,19-20H,10-14,22H2/t17-,19?,20+/m1/s1
InChIKeyAFKSUMKUMJZUNP-BPYOIECJSA-N
MW336.43 g/mol
LogP2.67
Rot. Bonds3

About [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 120785642) has the molecular formula C21H24N2O2 and a molecular weight of 336.43 g/mol. Its IUPAC name is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID120785642
Molecular FormulaC21H24N2O2
Molecular Weight336.43 g/mol
Exact Mass336.18
IUPAC Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESNC[C@H]1CC[C@@H](C(=O)N2Cc3ccccc3C(c3ccccc3)C2)O1
InChIInChI=1S/C21H24N2O2/c22-12-17-10-11-20(25-17)21(24)23-13-16-8-4-5-9-18(16)19(14-23)15-6-2-1-3-7-15/h1-9,17,19-20H,10-14,22H2/t17-,19?,20+/m1/s1
InChIKeyAFKSUMKUMJZUNP-BPYOIECJSA-N
XLogP2.67
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone with MolForge

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Related Compounds

2-chloro-1-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 96582197
2-chloro-1-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 71758717
(3-amino-2-bicyclo[2.2.1]heptanyl)-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride
CID 119704374
[5-(aminomethyl)oxolan-2-yl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220593
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-phenylpyrrolidin-1-yl)methanone
CID 120785176
2-phenoxy-1-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 37111198
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 120793803
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 120782912
1-[2-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-3,4-dihydro-1H-isoquinolin-5-yl]-3-phenylurea
CID 120792760
3,3-dimethyl-N-[2-oxo-2-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]butanamide
CID 94482519
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone
CID 120788310
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[(1S)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 170451487

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 120785642) is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is NC[C@H]1CC[C@@H](C(=O)N2Cc3ccccc3C(c3ccccc3)C2)O1.
What is the InChIKey of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is AFKSUMKUMJZUNP-BPYOIECJSA-N. The full InChI is InChI=1S/C21H24N2O2/c22-12-17-10-11-20(25-17)21(24)23-13-16-8-4-5-9-18(16)19(14-23)15-6-2-1-3-7-15/h1-9,17,19-20H,10-14,22H2/t17-,19?,20+/m1/s1.
What are the key properties of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 336.43 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 120785642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).