(2S)-2-(6-methoxynaphthalen-2-yl)pyrrolidine;hydrochloride

C15H18ClNO — CID 171196228

IUPAC(2S)-2-(6-methoxynaphthalen-2-yl)pyrrolidine;hydrochloride
SMILESCOc1ccc2cc([C@@H]3CCCN3)ccc2c1.Cl
InChIInChI=1S/C15H17NO.ClH/c1-17-14-7-6-11-9-13(5-4-12(11)10-14)15-3-2-8-16-15;/h4-7,9-10,15-16H,2-3,8H2,1H3;1H/t15-;/m0./s1
InChIKeyXFCJBIYPABZQPO-RSAXXLAASA-N
MW263.77 g/mol
LogP3.69
Rot. Bonds2

About (2S)-2-(6-methoxynaphthalen-2-yl)pyrrolidine;hydrochloride

(2S)-2-(6-methoxynaphthalen-2-yl)pyrrolidine;hydrochloride (PubChem CID 171196228) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is (2S)-2-(6-methoxynaphthalen-2-yl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(6-methoxynaphthalen-2-yl)pyrrolidine;hydrochloride
PubChem CID171196228
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name(2S)-2-(6-methoxynaphthalen-2-yl)pyrrolidine;hydrochloride
SMILESCOc1ccc2cc([C@@H]3CCCN3)ccc2c1.Cl
InChIInChI=1S/C15H17NO.ClH/c1-17-14-7-6-11-9-13(5-4-12(11)10-14)15-3-2-8-16-15;/h4-7,9-10,15-16H,2-3,8H2,1H3;1H/t15-;/m0./s1
InChIKeyXFCJBIYPABZQPO-RSAXXLAASA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(6-methoxynaphthalen-2-yl)piperidine;hydrochloride
CID 171194817
(2R)-2-(6-methoxynaphthalen-2-yl)piperidine
CID 171195323
(2S)-2-(6-methoxynaphthalen-2-yl)azetidine;hydrochloride
CID 171196650
2-(6-methylnaphthalen-2-yl)piperidine
CID 116962309
5-methoxy-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171195842
(2S)-2-(4-methoxyphenyl)azetidine
CID 55278634
6-[(2S)-piperidin-2-yl]naphthalen-2-ol;hydrochloride
CID 171194869
(2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171194815
2-cyclopentyl-6-methoxynaphthalene
CID 67100251
(2R)-2-(2-iodo-5-methoxyphenyl)pyrrolidine
CID 130676134
1-methoxy-7-pyrrolidin-2-ylisoquinoline
CID 117329098
6-[(2R)-piperidin-2-yl]naphthalen-2-ol
CID 171195375

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-methoxynaphthalen-2-yl)pyrrolidine;hydrochloride?
The IUPAC name of (2S)-2-(6-methoxynaphthalen-2-yl)pyrrolidine;hydrochloride (CID 171196228) is (2S)-2-(6-methoxynaphthalen-2-yl)pyrrolidine;hydrochloride.
What is the SMILES notation for (2S)-2-(6-methoxynaphthalen-2-yl)pyrrolidine;hydrochloride?
The canonical SMILES for (2S)-2-(6-methoxynaphthalen-2-yl)pyrrolidine;hydrochloride is COc1ccc2cc([C@@H]3CCCN3)ccc2c1.Cl.
What is the InChIKey of (2S)-2-(6-methoxynaphthalen-2-yl)pyrrolidine;hydrochloride?
The InChIKey is XFCJBIYPABZQPO-RSAXXLAASA-N. The full InChI is InChI=1S/C15H17NO.ClH/c1-17-14-7-6-11-9-13(5-4-12(11)10-14)15-3-2-8-16-15;/h4-7,9-10,15-16H,2-3,8H2,1H3;1H/t15-;/m0./s1.
What are the key properties of (2S)-2-(6-methoxynaphthalen-2-yl)pyrrolidine;hydrochloride?
(2S)-2-(6-methoxynaphthalen-2-yl)pyrrolidine;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-methoxynaphthalen-2-yl)pyrrolidine;hydrochloride is sourced from PubChem (CID 171196228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).