2-[5-chloro-2-(cyclobutylmethoxy)phenyl]-2-methylpyrrolidine

C16H22ClNO — CID 117449114

IUPAC2-[5-chloro-2-(cyclobutylmethoxy)phenyl]-2-methylpyrrolidine
SMILESCC1(c2cc(Cl)ccc2OCC2CCC2)CCCN1
InChIInChI=1S/C16H22ClNO/c1-16(8-3-9-18-16)14-10-13(17)6-7-15(14)19-11-12-4-2-5-12/h6-7,10,12,18H,2-5,8-9,11H2,1H3
InChIKeyXZBBQCZBDPUXAF-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.12
Rot. Bonds4

About 2-[5-chloro-2-(cyclobutylmethoxy)phenyl]-2-methylpyrrolidine

2-[5-chloro-2-(cyclobutylmethoxy)phenyl]-2-methylpyrrolidine (PubChem CID 117449114) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-[5-chloro-2-(cyclobutylmethoxy)phenyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name2-[5-chloro-2-(cyclobutylmethoxy)phenyl]-2-methylpyrrolidine
PubChem CID117449114
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name2-[5-chloro-2-(cyclobutylmethoxy)phenyl]-2-methylpyrrolidine
SMILESCC1(c2cc(Cl)ccc2OCC2CCC2)CCCN1
InChIInChI=1S/C16H22ClNO/c1-16(8-3-9-18-16)14-10-13(17)6-7-15(14)19-11-12-4-2-5-12/h6-7,10,12,18H,2-5,8-9,11H2,1H3
InChIKeyXZBBQCZBDPUXAF-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-2-(cyclobutylmethoxy)phenyl]cyclopentane-1-carboxylic acid
CID 117493677
4-chloro-1-(cyclobutylmethoxy)-2-methylbenzene
CID 127017270
2-[5-chloro-2-(methoxymethyl)phenyl]-2-methylpyrrolidine
CID 117352130
4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene
CID 130161233
2-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]-2-methylpyrrolidine
CID 117402832
2-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpyrrolidine
CID 117413305
1-[5-chloro-2-(cyclopropylmethoxy)phenyl]cyclohexane-1-carboxylic acid
CID 117493653
4-chloro-1-(cyclopropylmethoxy)-2-(1-isocyanatocyclopentyl)benzene
CID 117471217
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-one
CID 117384831
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459305
4-[(4-chloro-2-ethylphenoxy)methyl]piperidine;hydrochloride
CID 56830862
2-(2-methoxy-5-methylphenyl)-2-methylpyrrolidine
CID 66467357

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(cyclobutylmethoxy)phenyl]-2-methylpyrrolidine?
The IUPAC name of 2-[5-chloro-2-(cyclobutylmethoxy)phenyl]-2-methylpyrrolidine (CID 117449114) is 2-[5-chloro-2-(cyclobutylmethoxy)phenyl]-2-methylpyrrolidine.
What is the SMILES notation for 2-[5-chloro-2-(cyclobutylmethoxy)phenyl]-2-methylpyrrolidine?
The canonical SMILES for 2-[5-chloro-2-(cyclobutylmethoxy)phenyl]-2-methylpyrrolidine is CC1(c2cc(Cl)ccc2OCC2CCC2)CCCN1.
What is the InChIKey of 2-[5-chloro-2-(cyclobutylmethoxy)phenyl]-2-methylpyrrolidine?
The InChIKey is XZBBQCZBDPUXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-16(8-3-9-18-16)14-10-13(17)6-7-15(14)19-11-12-4-2-5-12/h6-7,10,12,18H,2-5,8-9,11H2,1H3.
What are the key properties of 2-[5-chloro-2-(cyclobutylmethoxy)phenyl]-2-methylpyrrolidine?
2-[5-chloro-2-(cyclobutylmethoxy)phenyl]-2-methylpyrrolidine has a molecular weight of 279.81 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(cyclobutylmethoxy)phenyl]-2-methylpyrrolidine is sourced from PubChem (CID 117449114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).