3-[(7-methoxynaphthalen-1-yl)methyl]pyrrolidine

C16H19NO — CID 19096229

IUPAC3-[(7-methoxynaphthalen-1-yl)methyl]pyrrolidine
SMILESCOc1ccc2cccc(CC3CCNC3)c2c1
InChIInChI=1S/C16H19NO/c1-18-15-6-5-13-3-2-4-14(16(13)10-15)9-12-7-8-17-11-12/h2-6,10,12,17H,7-9,11H2,1H3
InChIKeyNORPPBWZPVLGTQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.00
Rot. Bonds3

About 3-[(7-methoxynaphthalen-1-yl)methyl]pyrrolidine

3-[(7-methoxynaphthalen-1-yl)methyl]pyrrolidine (PubChem CID 19096229) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-[(7-methoxynaphthalen-1-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-[(7-methoxynaphthalen-1-yl)methyl]pyrrolidine
PubChem CID19096229
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name3-[(7-methoxynaphthalen-1-yl)methyl]pyrrolidine
SMILESCOc1ccc2cccc(CC3CCNC3)c2c1
InChIInChI=1S/C16H19NO/c1-18-15-6-5-13-3-2-4-14(16(13)10-15)9-12-7-8-17-11-12/h2-6,10,12,17H,7-9,11H2,1H3
InChIKeyNORPPBWZPVLGTQ-UHFFFAOYSA-N
XLogP3.00
TPSA21.26 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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 105459503
3-[(3-bromo-2-methoxyphenyl)methyl]pyrrolidine
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3-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 84806155
3-[(5-methoxy-2-methylphenyl)methyl]piperidine
CID 84786963
(3S)-3-[2-(3-methoxyphenoxy)ethyl]pyrrolidine
CID 93080822
3-[2-(6-methoxynaphthalen-2-yl)ethyl]pyrrolidine
CID 116925514
2-piperidin-4-ylpropan-2-yl 2-(7-methoxynaphthalen-1-yl)acetate
CID 155075742
1-cyclopropyl-3-(7-methoxynaphthalen-1-yl)propan-2-one
CID 113325067
7-(pyrrolidin-3-ylmethyl)-1H-indole
CID 84775916
5-methoxy-2-[[(3R)-pyrrolidin-3-yl]methyl]pyridine
CID 146288202
6-methoxy-3-(piperidin-4-ylmethyl)-1H-indole
CID 82497673
1-cyclopropyl-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 115506198

Frequently Asked Questions

What is the IUPAC name of 3-[(7-methoxynaphthalen-1-yl)methyl]pyrrolidine?
The IUPAC name of 3-[(7-methoxynaphthalen-1-yl)methyl]pyrrolidine (CID 19096229) is 3-[(7-methoxynaphthalen-1-yl)methyl]pyrrolidine.
What is the SMILES notation for 3-[(7-methoxynaphthalen-1-yl)methyl]pyrrolidine?
The canonical SMILES for 3-[(7-methoxynaphthalen-1-yl)methyl]pyrrolidine is COc1ccc2cccc(CC3CCNC3)c2c1.
What is the InChIKey of 3-[(7-methoxynaphthalen-1-yl)methyl]pyrrolidine?
The InChIKey is NORPPBWZPVLGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-18-15-6-5-13-3-2-4-14(16(13)10-15)9-12-7-8-17-11-12/h2-6,10,12,17H,7-9,11H2,1H3.
What are the key properties of 3-[(7-methoxynaphthalen-1-yl)methyl]pyrrolidine?
3-[(7-methoxynaphthalen-1-yl)methyl]pyrrolidine has a molecular weight of 241.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-methoxynaphthalen-1-yl)methyl]pyrrolidine is sourced from PubChem (CID 19096229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).