2-(4-chloro-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine

C15H20ClNO — CID 117418762

IUPAC2-(4-chloro-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine
SMILESCOc1c(C2CCCN2)cc2c(c1Cl)CCCC2
InChIInChI=1S/C15H20ClNO/c1-18-15-12(13-7-4-8-17-13)9-10-5-2-3-6-11(10)14(15)16/h9,13,17H,2-8H2,1H3
InChIKeyORJMMARBOQVNDS-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.65
Rot. Bonds2

About 2-(4-chloro-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine

2-(4-chloro-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine (PubChem CID 117418762) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 2-(4-chloro-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine.

Molecular Properties

Compound Name2-(4-chloro-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine
PubChem CID117418762
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name2-(4-chloro-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine
SMILESCOc1c(C2CCCN2)cc2c(c1Cl)CCCC2
InChIInChI=1S/C15H20ClNO/c1-18-15-12(13-7-4-8-17-13)9-10-5-2-3-6-11(10)14(15)16/h9,13,17H,2-8H2,1H3
InChIKeyORJMMARBOQVNDS-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)pyrrolidine
CID 117449131
2-(2-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)piperidine
CID 117474234
2-(4-chloro-3,5-difluoro-2-methoxyphenyl)pyrrolidine
CID 84706284
2-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)morpholine
CID 117476546
7-methoxy-6-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-indene-4-carbonitrile
CID 66519501
2-(2,5-dimethoxy-3-methylphenyl)pyrrolidine
CID 84686830
4-methoxy-7-[(2R)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-ol
CID 66519356
(2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine
CID 66519603
2-(3,5-dichloro-2-methoxyphenyl)piperidine
CID 82301361
2-(5-bromo-2-methoxy-3-methylphenyl)pyrrolidine
CID 117428409
2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)pyrrolidine
CID 117403491
2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)pyrrolidine
CID 117387937

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine?
The IUPAC name of 2-(4-chloro-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine (CID 117418762) is 2-(4-chloro-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine.
What is the SMILES notation for 2-(4-chloro-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine?
The canonical SMILES for 2-(4-chloro-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine is COc1c(C2CCCN2)cc2c(c1Cl)CCCC2.
What is the InChIKey of 2-(4-chloro-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine?
The InChIKey is ORJMMARBOQVNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-18-15-12(13-7-4-8-17-13)9-10-5-2-3-6-11(10)14(15)16/h9,13,17H,2-8H2,1H3.
What are the key properties of 2-(4-chloro-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine?
2-(4-chloro-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine has a molecular weight of 265.78 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine is sourced from PubChem (CID 117418762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).