3-(4-methylnaphthalen-1-yl)pyrrolidine

C15H17N — CID 70971659

IUPAC3-(4-methylnaphthalen-1-yl)pyrrolidine
SMILESCc1ccc(C2CCNC2)c2ccccc12
InChIInChI=1S/C15H17N/c1-11-6-7-14(12-8-9-16-10-12)15-5-3-2-4-13(11)15/h2-7,12,16H,8-10H2,1H3
InChIKeyDKOAQZOFKZQTSZ-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.23
Rot. Bonds1

About 3-(4-methylnaphthalen-1-yl)pyrrolidine

3-(4-methylnaphthalen-1-yl)pyrrolidine (PubChem CID 70971659) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-(4-methylnaphthalen-1-yl)pyrrolidine.

Molecular Properties

Compound Name3-(4-methylnaphthalen-1-yl)pyrrolidine
PubChem CID70971659
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name3-(4-methylnaphthalen-1-yl)pyrrolidine
SMILESCc1ccc(C2CCNC2)c2ccccc12
InChIInChI=1S/C15H17N/c1-11-6-7-14(12-8-9-16-10-12)15-5-3-2-4-13(11)15/h2-7,12,16H,8-10H2,1H3
InChIKeyDKOAQZOFKZQTSZ-UHFFFAOYSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-methoxy-2,4-dimethylphenyl)pyrrolidine
CID 117293921
(3S)-3-(2,6-dimethylphenyl)pyrrolidine
CID 93478436
(2R)-2-(4-methylnaphthalen-1-yl)azetidine;hydrochloride
CID 171197351
3-(4-methylnaphthalen-1-yl)-6-azabicyclo[3.1.1]heptane
CID 130377875
3-[2-(3,4-dimethylphenyl)phenyl]pyrrolidine
CID 46205703
3-(5-bromo-2-methylphenyl)pyrrolidine
CID 82388123
3-(5-fluoro-2-methylphenyl)pyrrolidine;hydrochloride
CID 169498179
(3R)-3-(1-benzofuran-3-yl)pyrrolidine
CID 96625875
(3R)-3-(2-bromophenyl)pyrrolidine
CID 95447261
3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol
CID 131080650
ethane;3-(2-methylphenyl)piperidine
CID 144655647
3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine
CID 84686824

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylnaphthalen-1-yl)pyrrolidine?
The IUPAC name of 3-(4-methylnaphthalen-1-yl)pyrrolidine (CID 70971659) is 3-(4-methylnaphthalen-1-yl)pyrrolidine.
What is the SMILES notation for 3-(4-methylnaphthalen-1-yl)pyrrolidine?
The canonical SMILES for 3-(4-methylnaphthalen-1-yl)pyrrolidine is Cc1ccc(C2CCNC2)c2ccccc12.
What is the InChIKey of 3-(4-methylnaphthalen-1-yl)pyrrolidine?
The InChIKey is DKOAQZOFKZQTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-11-6-7-14(12-8-9-16-10-12)15-5-3-2-4-13(11)15/h2-7,12,16H,8-10H2,1H3.
What are the key properties of 3-(4-methylnaphthalen-1-yl)pyrrolidine?
3-(4-methylnaphthalen-1-yl)pyrrolidine has a molecular weight of 211.31 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylnaphthalen-1-yl)pyrrolidine is sourced from PubChem (CID 70971659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).