(2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidine;hydrochloride

C15H18ClNO — CID 171196102

IUPAC(2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidine;hydrochloride
SMILESCOc1ccc([C@H]2CCCN2)c2ccccc12.Cl
InChIInChI=1S/C15H17NO.ClH/c1-17-15-9-8-12(14-7-4-10-16-14)11-5-2-3-6-13(11)15;/h2-3,5-6,8-9,14,16H,4,7,10H2,1H3;1H/t14-;/m1./s1
InChIKeyTWXRGSBUGHWTIE-PFEQFJNWSA-N
MW263.77 g/mol
LogP3.69
Rot. Bonds2

About (2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidine;hydrochloride

(2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidine;hydrochloride (PubChem CID 171196102) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is (2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidine;hydrochloride
PubChem CID171196102
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name(2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidine;hydrochloride
SMILESCOc1ccc([C@H]2CCCN2)c2ccccc12.Cl
InChIInChI=1S/C15H17NO.ClH/c1-17-15-9-8-12(14-7-4-10-16-14)11-5-2-3-6-13(11)15;/h2-3,5-6,8-9,14,16H,4,7,10H2,1H3;1H/t14-;/m1./s1
InChIKeyTWXRGSBUGHWTIE-PFEQFJNWSA-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

(2R)-2-(2,3,4-trimethoxyphenyl)piperidine;hydrochloride
CID 171195335
2-(2,3,4-trimethoxyphenyl)azepane
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(2R)-2-(2-methoxyphenyl)pyrrolidine
CID 7047810
(2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine
CID 66519603
2,3-dimethoxy-6-pyrrolidin-2-ylphenol
CID 77131807
(2R)-2-naphthalen-1-ylpyrrolidine;hydrochloride
CID 154803630
(2R)-2-(2,3-dimethoxyphenyl)azetidine;hydrochloride
CID 171197120
2-[3-methoxy-2-(thian-4-yloxy)phenyl]pyrrolidine
CID 117473690
2-(3-methoxynaphthalen-2-yl)pyrrolidine
CID 4540361
2-(2-chloro-3-methoxyphenyl)pyrrolidine
CID 83703297
(2S)-2-(2-chloro-3-methoxyphenyl)pyrrolidine
CID 130973106
8-methoxy-4-piperidin-2-ylquinoline
CID 82664370

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidine;hydrochloride?
The IUPAC name of (2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidine;hydrochloride (CID 171196102) is (2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidine;hydrochloride.
What is the SMILES notation for (2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidine;hydrochloride?
The canonical SMILES for (2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidine;hydrochloride is COc1ccc([C@H]2CCCN2)c2ccccc12.Cl.
What is the InChIKey of (2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidine;hydrochloride?
The InChIKey is TWXRGSBUGHWTIE-PFEQFJNWSA-N. The full InChI is InChI=1S/C15H17NO.ClH/c1-17-15-9-8-12(14-7-4-10-16-14)11-5-2-3-6-13(11)15;/h2-3,5-6,8-9,14,16H,4,7,10H2,1H3;1H/t14-;/m1./s1.
What are the key properties of (2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidine;hydrochloride?
(2R)-2-(4-methoxynaphthalen-1-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 (2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidine;hydrochloride is sourced from PubChem (CID 171196102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).