1-(2-butoxyphenyl)pyrrolidine

C14H21NO — CID 154391189

IUPAC1-(2-butoxyphenyl)pyrrolidine
SMILESCCCCOc1ccccc1N1CCCC1
InChIInChI=1S/C14H21NO/c1-2-3-12-16-14-9-5-4-8-13(14)15-10-6-7-11-15/h4-5,8-9H,2-3,6-7,10-12H2,1H3
InChIKeyVTWTWWMBWMGGJQ-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.47
Rot. Bonds5

About 1-(2-butoxyphenyl)pyrrolidine

1-(2-butoxyphenyl)pyrrolidine (PubChem CID 154391189) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(2-butoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-butoxyphenyl)pyrrolidine
PubChem CID154391189
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(2-butoxyphenyl)pyrrolidine
SMILESCCCCOc1ccccc1N1CCCC1
InChIInChI=1S/C14H21NO/c1-2-3-12-16-14-9-5-4-8-13(14)15-10-6-7-11-15/h4-5,8-9H,2-3,6-7,10-12H2,1H3
InChIKeyVTWTWWMBWMGGJQ-UHFFFAOYSA-N
XLogP3.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.47
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-(2-octoxyphenyl)piperazine
CID 63461603
3-butoxy-4-pyrrolidin-1-ylaniline
CID 165357451
1-methyl-4-[2-(2-pyrrolidin-1-ylethoxy)phenyl]piperazine
CID 58817389
1-[2-(3-ethoxypropoxy)phenyl]-1,4-diazepane
CID 65181009
2-[3-[4-(2-butoxyphenyl)piperazin-1-yl]propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 10503368
2-[2-(3,3-diethylazetidin-1-yl)phenoxy]ethanamine
CID 79687732
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
CID 100671557
2-[2-(azepan-1-yl)phenoxy]acetic acid
CID 79694156
1-(2-butoxyphenyl)piperazin-2-one
CID 70120248
azane;1-(2-butylphenyl)piperidine
CID 70222464
4-chloro-1-[2-(2-pyrrolidin-1-ylphenoxy)ethyl]pyrazole
CID 168514051
1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-1,4-diazepane
CID 115943307

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyphenyl)pyrrolidine?
The IUPAC name of 1-(2-butoxyphenyl)pyrrolidine (CID 154391189) is 1-(2-butoxyphenyl)pyrrolidine.
What is the SMILES notation for 1-(2-butoxyphenyl)pyrrolidine?
The canonical SMILES for 1-(2-butoxyphenyl)pyrrolidine is CCCCOc1ccccc1N1CCCC1.
What is the InChIKey of 1-(2-butoxyphenyl)pyrrolidine?
The InChIKey is VTWTWWMBWMGGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-3-12-16-14-9-5-4-8-13(14)15-10-6-7-11-15/h4-5,8-9H,2-3,6-7,10-12H2,1H3.
What are the key properties of 1-(2-butoxyphenyl)pyrrolidine?
1-(2-butoxyphenyl)pyrrolidine has a molecular weight of 219.33 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyphenyl)pyrrolidine is sourced from PubChem (CID 154391189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).