1-[(1R)-8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine

C15H20ClNO — CID 21120088

IUPAC1-[(1R)-8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
SMILESCOc1ccc(Cl)c2c1CCC[C@H]2N1CCCC1
InChIInChI=1S/C15H20ClNO/c1-18-14-8-7-12(16)15-11(14)5-4-6-13(15)17-9-2-3-10-17/h7-8,13H,2-6,9-10H2,1H3/t13-/m1/s1
InChIKeyBFRJLKDLPOSYFJ-CYBMUJFWSA-N
MW265.78 g/mol
LogP3.82
Rot. Bonds2

About 1-[(1R)-8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine

1-[(1R)-8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine (PubChem CID 21120088) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 1-[(1R)-8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(1R)-8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
PubChem CID21120088
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name1-[(1R)-8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
SMILESCOc1ccc(Cl)c2c1CCC[C@H]2N1CCCC1
InChIInChI=1S/C15H20ClNO/c1-18-14-8-7-12(16)15-11(14)5-4-6-13(15)17-9-2-3-10-17/h7-8,13H,2-6,9-10H2,1H3/t13-/m1/s1
InChIKeyBFRJLKDLPOSYFJ-CYBMUJFWSA-N
XLogP3.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(8-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride
CID 3048231
1,8-dichloro-5-methoxy-1,2,3,4-tetrahydronaphthalene
CID 104546666
4,5-dichloro-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 104546674
1-(4-methoxy-8-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)pentan-1-one
CID 3048522
(5S)-4-chloro-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 104546659
8-chloro-5-methoxy-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide
CID 138400676
7-chloro-4-methoxy-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 18386395
1-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane
CID 141010316
N-(8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylprop-2-enamide
CID 127267426
(3R,4R)-3-[(8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]oxan-4-ol
CID 167913171
8-chloro-N-[(1-ethyltriazol-4-yl)methyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 136569856
5-chloro-1-methoxy-4-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 62735461

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine?
The IUPAC name of 1-[(1R)-8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine (CID 21120088) is 1-[(1R)-8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine.
What is the SMILES notation for 1-[(1R)-8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine?
The canonical SMILES for 1-[(1R)-8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine is COc1ccc(Cl)c2c1CCC[C@H]2N1CCCC1.
What is the InChIKey of 1-[(1R)-8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine?
The InChIKey is BFRJLKDLPOSYFJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-18-14-8-7-12(16)15-11(14)5-4-6-13(15)17-9-2-3-10-17/h7-8,13H,2-6,9-10H2,1H3/t13-/m1/s1.
What are the key properties of 1-[(1R)-8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine?
1-[(1R)-8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine has a molecular weight of 265.78 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine is sourced from PubChem (CID 21120088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).