1-[6-(3-methylphenoxy)hexyl]pyrrolidine

C17H27NO — CID 2057335

IUPAC1-[6-(3-methylphenoxy)hexyl]pyrrolidine
SMILESCc1cccc(OCCCCCCN2CCCC2)c1
InChIInChI=1S/C17H27NO/c1-16-9-8-10-17(15-16)19-14-7-3-2-4-11-18-12-5-6-13-18/h8-10,15H,2-7,11-14H2,1H3
InChIKeyVHNVIVKSJRKMFC-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.03
Rot. Bonds8

About 1-[6-(3-methylphenoxy)hexyl]pyrrolidine

1-[6-(3-methylphenoxy)hexyl]pyrrolidine (PubChem CID 2057335) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[6-(3-methylphenoxy)hexyl]pyrrolidine.

Molecular Properties

Compound Name1-[6-(3-methylphenoxy)hexyl]pyrrolidine
PubChem CID2057335
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[6-(3-methylphenoxy)hexyl]pyrrolidine
SMILESCc1cccc(OCCCCCCN2CCCC2)c1
InChIInChI=1S/C17H27NO/c1-16-9-8-10-17(15-16)19-14-7-3-2-4-11-18-12-5-6-13-18/h8-10,15H,2-7,11-14H2,1H3
InChIKeyVHNVIVKSJRKMFC-UHFFFAOYSA-N
XLogP4.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[6-(3-methoxyphenoxy)hexyl]piperidine
CID 2232457
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]ethanol
CID 60669962
1-[6-(3-chlorophenoxy)hexyl]azepane
CID 127038677
1-[6-(3-chlorophenoxy)hexyl]piperidine
CID 2057716
(3-methylphenyl) 6-pyrrolidin-1-ylhexanoate
CID 142992823
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
1-[3-(3-methylphenoxy)propyl]piperidine-4-carboxylic acid
CID 43441464
1-[4-(3-bromophenoxy)butyl]piperidine
CID 2297384
1-[3-(3-methylphenoxy)propyl]piperidin-4-ol
CID 39352208
1-[4-(3,4-dimethylphenoxy)butyl]azepane
CID 2194954
4-methyl-1-[3-(3-methylphenoxy)propyl]piperidine-4-carboxylic acid
CID 63124737

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-methylphenoxy)hexyl]pyrrolidine?
The IUPAC name of 1-[6-(3-methylphenoxy)hexyl]pyrrolidine (CID 2057335) is 1-[6-(3-methylphenoxy)hexyl]pyrrolidine.
What is the SMILES notation for 1-[6-(3-methylphenoxy)hexyl]pyrrolidine?
The canonical SMILES for 1-[6-(3-methylphenoxy)hexyl]pyrrolidine is Cc1cccc(OCCCCCCN2CCCC2)c1.
What is the InChIKey of 1-[6-(3-methylphenoxy)hexyl]pyrrolidine?
The InChIKey is VHNVIVKSJRKMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-16-9-8-10-17(15-16)19-14-7-3-2-4-11-18-12-5-6-13-18/h8-10,15H,2-7,11-14H2,1H3.
What are the key properties of 1-[6-(3-methylphenoxy)hexyl]pyrrolidine?
1-[6-(3-methylphenoxy)hexyl]pyrrolidine has a molecular weight of 261.41 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-methylphenoxy)hexyl]pyrrolidine is sourced from PubChem (CID 2057335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).