2-[3-(4-methoxy-3-propan-2-ylphenyl)propyl]pyrrolidine

C17H27NO — CID 112519352

IUPAC2-[3-(4-methoxy-3-propan-2-ylphenyl)propyl]pyrrolidine
SMILESCOc1ccc(CCCC2CCCN2)cc1C(C)C
InChIInChI=1S/C17H27NO/c1-13(2)16-12-14(9-10-17(16)19-3)6-4-7-15-8-5-11-18-15/h9-10,12-13,15,18H,4-8,11H2,1-3H3
InChIKeyZWPUEAPMVRZYAH-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.89
Rot. Bonds6

About 2-[3-(4-methoxy-3-propan-2-ylphenyl)propyl]pyrrolidine

2-[3-(4-methoxy-3-propan-2-ylphenyl)propyl]pyrrolidine (PubChem CID 112519352) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[3-(4-methoxy-3-propan-2-ylphenyl)propyl]pyrrolidine.

Molecular Properties

Compound Name2-[3-(4-methoxy-3-propan-2-ylphenyl)propyl]pyrrolidine
PubChem CID112519352
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[3-(4-methoxy-3-propan-2-ylphenyl)propyl]pyrrolidine
SMILESCOc1ccc(CCCC2CCCN2)cc1C(C)C
InChIInChI=1S/C17H27NO/c1-13(2)16-12-14(9-10-17(16)19-3)6-4-7-15-8-5-11-18-15/h9-10,12-13,15,18H,4-8,11H2,1-3H3
InChIKeyZWPUEAPMVRZYAH-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(5-ethyl-2-methoxyphenyl)propyl]pyrrolidine
CID 112518591
2-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]pyrrolidine
CID 117355063
2-[3-(4-methoxyphenyl)propyl]piperidine
CID 65446310
1-methoxy-4-(4-methylpentyl)-2-propan-2-ylbenzene
CID 163377100
2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine
CID 82158685
2-[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propyl]pyrrolidine
CID 112519355
3-(4-methoxy-3-propan-2-ylphenyl)-N-methylpropan-1-amine
CID 94683968
2-(3-bromo-4-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 115208373
2-(4-methoxy-3-propan-2-ylphenyl)ethanethiol
CID 82126770
4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid
CID 10060027
N-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605289
2-[(3-chloro-4-methoxyphenyl)methyl]piperidine
CID 82084437

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxy-3-propan-2-ylphenyl)propyl]pyrrolidine?
The IUPAC name of 2-[3-(4-methoxy-3-propan-2-ylphenyl)propyl]pyrrolidine (CID 112519352) is 2-[3-(4-methoxy-3-propan-2-ylphenyl)propyl]pyrrolidine.
What is the SMILES notation for 2-[3-(4-methoxy-3-propan-2-ylphenyl)propyl]pyrrolidine?
The canonical SMILES for 2-[3-(4-methoxy-3-propan-2-ylphenyl)propyl]pyrrolidine is COc1ccc(CCCC2CCCN2)cc1C(C)C.
What is the InChIKey of 2-[3-(4-methoxy-3-propan-2-ylphenyl)propyl]pyrrolidine?
The InChIKey is ZWPUEAPMVRZYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)16-12-14(9-10-17(16)19-3)6-4-7-15-8-5-11-18-15/h9-10,12-13,15,18H,4-8,11H2,1-3H3.
What are the key properties of 2-[3-(4-methoxy-3-propan-2-ylphenyl)propyl]pyrrolidine?
2-[3-(4-methoxy-3-propan-2-ylphenyl)propyl]pyrrolidine has a molecular weight of 261.41 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxy-3-propan-2-ylphenyl)propyl]pyrrolidine is sourced from PubChem (CID 112519352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).