trans-methyl (1S,2S)-2-(methylaminomethyl)-1-naphthalen-2-ylcyclopropane-1-carboxylate

C17H19NO2 — CID 71464996

IUPACtrans-methyl (1S,2S)-2-(methylaminomethyl)-1-naphthalen-2-ylcyclopropane-1-carboxylate
SMILESCNC[C@H]1C[C@@]1(C(=O)OC)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO2/c1-18-11-15-10-17(15,16(19)20-2)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,15,18H,10-11H2,1-2H3/t15-,17-/m1/s1
InChIKeyGROAZYOVLWGTME-NVXWUHKLSA-N
MW269.34 g/mol
LogP2.49
Rot. Bonds4

About trans-methyl (1S,2S)-2-(methylaminomethyl)-1-naphthalen-2-ylcyclopropane-1-carboxylate

trans-methyl (1S,2S)-2-(methylaminomethyl)-1-naphthalen-2-ylcyclopropane-1-carboxylate (PubChem CID 71464996) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is trans-methyl (1S,2S)-2-(methylaminomethyl)-1-naphthalen-2-ylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1S,2S)-2-(methylaminomethyl)-1-naphthalen-2-ylcyclopropane-1-carboxylate
PubChem CID71464996
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Nametrans-methyl (1S,2S)-2-(methylaminomethyl)-1-naphthalen-2-ylcyclopropane-1-carboxylate
SMILESCNC[C@H]1C[C@@]1(C(=O)OC)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO2/c1-18-11-15-10-17(15,16(19)20-2)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,15,18H,10-11H2,1-2H3/t15-,17-/m1/s1
InChIKeyGROAZYOVLWGTME-NVXWUHKLSA-N
XLogP2.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-formyl-1-naphthalen-2-ylcyclopropane-1-carboxylate
CID 89157511
trans-methyl (1S,2S)-1-(2-chlorophenyl)-2-(methylaminomethyl)cyclopropane-1-carboxylate
CID 71464945
methyl 2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylate
CID 58725238
(E)-but-2-enedioic acid;methyl 1-(2-chlorophenyl)-2-(methylaminomethyl)cyclopropane-1-carboxylate
CID 70980846
trans-(1R,2R)-2-(methylaminomethyl)-1-(4-phenylphenyl)cyclopropane-1-carboxylic acid
CID 70981606
methyl (1S)-2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carboxylate;hydrochloride
CID 45261511
methyl 2-(aminomethyl)-1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 90071602
trans-methyl (1R,2R)-2-[[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]methyl]-1-(4-phenylphenyl)cyclopropane-1-carboxylate
CID 164756415
3-methoxy-1-naphthalen-2-ylcyclobutan-1-ol
CID 106823614
trans-(1S,2S)-N,N,2-trimethyl-2-naphthalen-2-ylcyclopropane-1-carboxamide
CID 102346585
2-(methylamino)-1-[(1R,5S)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
CID 166530611
cis-methyl (1R,2S)-2-[(dicyclohexylamino)methyl]-1-phenylcyclopropane-1-carboxylate
CID 101061974

Frequently Asked Questions

What is the IUPAC name of trans-methyl (1S,2S)-2-(methylaminomethyl)-1-naphthalen-2-ylcyclopropane-1-carboxylate?
The IUPAC name of trans-methyl (1S,2S)-2-(methylaminomethyl)-1-naphthalen-2-ylcyclopropane-1-carboxylate (CID 71464996) is trans-methyl (1S,2S)-2-(methylaminomethyl)-1-naphthalen-2-ylcyclopropane-1-carboxylate.
What is the SMILES notation for trans-methyl (1S,2S)-2-(methylaminomethyl)-1-naphthalen-2-ylcyclopropane-1-carboxylate?
The canonical SMILES for trans-methyl (1S,2S)-2-(methylaminomethyl)-1-naphthalen-2-ylcyclopropane-1-carboxylate is CNC[C@H]1C[C@@]1(C(=O)OC)c1ccc2ccccc2c1.
What is the InChIKey of trans-methyl (1S,2S)-2-(methylaminomethyl)-1-naphthalen-2-ylcyclopropane-1-carboxylate?
The InChIKey is GROAZYOVLWGTME-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H19NO2/c1-18-11-15-10-17(15,16(19)20-2)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,15,18H,10-11H2,1-2H3/t15-,17-/m1/s1.
What are the key properties of trans-methyl (1S,2S)-2-(methylaminomethyl)-1-naphthalen-2-ylcyclopropane-1-carboxylate?
trans-methyl (1S,2S)-2-(methylaminomethyl)-1-naphthalen-2-ylcyclopropane-1-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1S,2S)-2-(methylaminomethyl)-1-naphthalen-2-ylcyclopropane-1-carboxylate is sourced from PubChem (CID 71464996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).