(1S)-1-[(1R,2R)-2-(2-methoxynaphthalen-1-yl)cyclopropyl]ethanamine

C16H19NO — CID 124552558

IUPAC(1S)-1-[(1R,2R)-2-(2-methoxynaphthalen-1-yl)cyclopropyl]ethanamine
SMILESCOc1ccc2ccccc2c1[C@@H]1C[C@H]1[C@H](C)N
InChIInChI=1S/C16H19NO/c1-10(17)13-9-14(13)16-12-6-4-3-5-11(12)7-8-15(16)18-2/h3-8,10,13-14H,9,17H2,1-2H3/t10-,13-,14+/m0/s1
InChIKeyRAGZGTJZPACCCG-LEWSCRJBSA-N
MW241.33 g/mol
LogP3.30
Rot. Bonds3

About (1S)-1-[(1R,2R)-2-(2-methoxynaphthalen-1-yl)cyclopropyl]ethanamine

(1S)-1-[(1R,2R)-2-(2-methoxynaphthalen-1-yl)cyclopropyl]ethanamine (PubChem CID 124552558) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (1S)-1-[(1R,2R)-2-(2-methoxynaphthalen-1-yl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[(1R,2R)-2-(2-methoxynaphthalen-1-yl)cyclopropyl]ethanamine
PubChem CID124552558
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(1S)-1-[(1R,2R)-2-(2-methoxynaphthalen-1-yl)cyclopropyl]ethanamine
SMILESCOc1ccc2ccccc2c1[C@@H]1C[C@H]1[C@H](C)N
InChIInChI=1S/C16H19NO/c1-10(17)13-9-14(13)16-12-6-4-3-5-11(12)7-8-15(16)18-2/h3-8,10,13-14H,9,17H2,1-2H3/t10-,13-,14+/m0/s1
InChIKeyRAGZGTJZPACCCG-LEWSCRJBSA-N
XLogP3.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[(1R,2R)-2-(2,4,6-trimethoxyphenyl)cyclopropyl]ethanamine
CID 124552560
(1S)-1-[(1S,2R)-2-(2,3-dimethoxyphenyl)cyclopropyl]ethanamine
CID 124550908
(1R)-1-[(1S,2S)-2-(3,4-dimethoxyphenyl)cyclopropyl]ethanamine
CID 28912479
(1R)-1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]ethanamine
CID 29079123
[5-(2-methoxynaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117429310
2-methoxy-1-(2-methoxynaphthalen-1-yl)oxynaphthalene
CID 168858344
(R)-cyclopropyl-(2-methoxynaphthalen-1-yl)methanamine;hydrochloride
CID 171212946
1-[2-(3-chloro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 65022463
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
(1R)-2-cyclopropyl-1-(2-methoxynaphthalen-1-yl)ethanamine;hydrochloride
CID 171212937
2-(2-methoxynaphthalen-1-yl)-3,4-dihydro-2H-pyran
CID 86010067
(1R)-1-(2-methoxynaphthalen-1-yl)-2-methylbutan-1-amine;hydrochloride
CID 171212960

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1R,2R)-2-(2-methoxynaphthalen-1-yl)cyclopropyl]ethanamine?
The IUPAC name of (1S)-1-[(1R,2R)-2-(2-methoxynaphthalen-1-yl)cyclopropyl]ethanamine (CID 124552558) is (1S)-1-[(1R,2R)-2-(2-methoxynaphthalen-1-yl)cyclopropyl]ethanamine.
What is the SMILES notation for (1S)-1-[(1R,2R)-2-(2-methoxynaphthalen-1-yl)cyclopropyl]ethanamine?
The canonical SMILES for (1S)-1-[(1R,2R)-2-(2-methoxynaphthalen-1-yl)cyclopropyl]ethanamine is COc1ccc2ccccc2c1[C@@H]1C[C@H]1[C@H](C)N.
What is the InChIKey of (1S)-1-[(1R,2R)-2-(2-methoxynaphthalen-1-yl)cyclopropyl]ethanamine?
The InChIKey is RAGZGTJZPACCCG-LEWSCRJBSA-N. The full InChI is InChI=1S/C16H19NO/c1-10(17)13-9-14(13)16-12-6-4-3-5-11(12)7-8-15(16)18-2/h3-8,10,13-14H,9,17H2,1-2H3/t10-,13-,14+/m0/s1.
What are the key properties of (1S)-1-[(1R,2R)-2-(2-methoxynaphthalen-1-yl)cyclopropyl]ethanamine?
(1S)-1-[(1R,2R)-2-(2-methoxynaphthalen-1-yl)cyclopropyl]ethanamine has a molecular weight of 241.33 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1R,2R)-2-(2-methoxynaphthalen-1-yl)cyclopropyl]ethanamine is sourced from PubChem (CID 124552558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).