2-[4-(2-methylpropoxy)phenyl]pyrrolidine

C14H21NO — CID 77131626

IUPAC2-[4-(2-methylpropoxy)phenyl]pyrrolidine
SMILESCC(C)COc1ccc(C2CCCN2)cc1
InChIInChI=1S/C14H21NO/c1-11(2)10-16-13-7-5-12(6-8-13)14-4-3-9-15-14/h5-8,11,14-15H,3-4,9-10H2,1-2H3
InChIKeyPIMFQWWGBBCRRX-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.15
Rot. Bonds4

About 2-[4-(2-methylpropoxy)phenyl]pyrrolidine

2-[4-(2-methylpropoxy)phenyl]pyrrolidine (PubChem CID 77131626) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[4-(2-methylpropoxy)phenyl]pyrrolidine.

Molecular Properties

Compound Name2-[4-(2-methylpropoxy)phenyl]pyrrolidine
PubChem CID77131626
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[4-(2-methylpropoxy)phenyl]pyrrolidine
SMILESCC(C)COc1ccc(C2CCCN2)cc1
InChIInChI=1S/C14H21NO/c1-11(2)10-16-13-7-5-12(6-8-13)14-4-3-9-15-14/h5-8,11,14-15H,3-4,9-10H2,1-2H3
InChIKeyPIMFQWWGBBCRRX-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2-methylpropoxy)phenyl]pyrrolidine
CID 77131627
2-[4-(2-methylpropoxy)phenyl]piperazine
CID 82290919
(2S)-2-(4-propan-2-yloxyphenyl)pyrrolidine
CID 66518885
3-[4-(2-methylpropoxy)phenyl]morpholine
CID 82291237
2-(4-butoxyphenyl)piperidine
CID 3525424
(2R)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride
CID 171196054
(2S)-2-(4-phenylmethoxyphenyl)pyrrolidine;hydrochloride
CID 171196463
(2S)-2-[[4-(2-methylpropoxy)phenyl]methyl]piperidine
CID 39345713
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
2-[4-(dimethoxymethyl)phenyl]pyrrolidine
CID 84788037
trimethyl-[4-[(2S)-piperidin-2-yl]phenoxy]silane
CID 171195003
(2R)-2-[4-(4-methylphenyl)phenyl]pyrrolidine
CID 66519668

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropoxy)phenyl]pyrrolidine?
The IUPAC name of 2-[4-(2-methylpropoxy)phenyl]pyrrolidine (CID 77131626) is 2-[4-(2-methylpropoxy)phenyl]pyrrolidine.
What is the SMILES notation for 2-[4-(2-methylpropoxy)phenyl]pyrrolidine?
The canonical SMILES for 2-[4-(2-methylpropoxy)phenyl]pyrrolidine is CC(C)COc1ccc(C2CCCN2)cc1.
What is the InChIKey of 2-[4-(2-methylpropoxy)phenyl]pyrrolidine?
The InChIKey is PIMFQWWGBBCRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(2)10-16-13-7-5-12(6-8-13)14-4-3-9-15-14/h5-8,11,14-15H,3-4,9-10H2,1-2H3.
What are the key properties of 2-[4-(2-methylpropoxy)phenyl]pyrrolidine?
2-[4-(2-methylpropoxy)phenyl]pyrrolidine has a molecular weight of 219.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropoxy)phenyl]pyrrolidine is sourced from PubChem (CID 77131626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).