2-methyl-1-[3-(3-propan-2-ylphenoxy)propyl]pyrrolidine

C17H27NO — CID 91223187

IUPAC2-methyl-1-[3-(3-propan-2-ylphenoxy)propyl]pyrrolidine
SMILESCC(C)c1cccc(OCCCN2CCCC2C)c1
InChIInChI=1S/C17H27NO/c1-14(2)16-8-4-9-17(13-16)19-12-6-11-18-10-5-7-15(18)3/h4,8-9,13-15H,5-7,10-12H2,1-3H3
InChIKeyDHLNZABQDVASAS-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.06
Rot. Bonds6

About 2-methyl-1-[3-(3-propan-2-ylphenoxy)propyl]pyrrolidine

2-methyl-1-[3-(3-propan-2-ylphenoxy)propyl]pyrrolidine (PubChem CID 91223187) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-methyl-1-[3-(3-propan-2-ylphenoxy)propyl]pyrrolidine.

Molecular Properties

Compound Name2-methyl-1-[3-(3-propan-2-ylphenoxy)propyl]pyrrolidine
PubChem CID91223187
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-methyl-1-[3-(3-propan-2-ylphenoxy)propyl]pyrrolidine
SMILESCC(C)c1cccc(OCCCN2CCCC2C)c1
InChIInChI=1S/C17H27NO/c1-14(2)16-8-4-9-17(13-16)19-12-6-11-18-10-5-7-15(18)3/h4,8-9,13-15H,5-7,10-12H2,1-3H3
InChIKeyDHLNZABQDVASAS-UHFFFAOYSA-N
XLogP4.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.06
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

4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]aniline
CID 57457557
1-[2-(3-propan-2-ylphenoxy)ethyl]pyrrolidine
CID 869541
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
4-[3-(3-propan-2-ylphenoxy)propyl]morpholine
CID 42562888
methane;2-methyl-1-(5-phenoxypentyl)piperidine
CID 158922703
1-methyl-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine
CID 59135331
2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 11948033
1-[1-(3-ethoxyphenyl)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 60600235
(2R)-1-[3-[4-(4-fluorophenoxy)phenoxy]propyl]-2-methylpyrrolidine
CID 141409684
[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine
CID 43253349
3,5-dimethyl-4-[3-(3-propan-2-ylphenoxy)propyl]pyrazolidine
CID 134064277
3-methyl-1-[3-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one
CID 67010532

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(3-propan-2-ylphenoxy)propyl]pyrrolidine?
The IUPAC name of 2-methyl-1-[3-(3-propan-2-ylphenoxy)propyl]pyrrolidine (CID 91223187) is 2-methyl-1-[3-(3-propan-2-ylphenoxy)propyl]pyrrolidine.
What is the SMILES notation for 2-methyl-1-[3-(3-propan-2-ylphenoxy)propyl]pyrrolidine?
The canonical SMILES for 2-methyl-1-[3-(3-propan-2-ylphenoxy)propyl]pyrrolidine is CC(C)c1cccc(OCCCN2CCCC2C)c1.
What is the InChIKey of 2-methyl-1-[3-(3-propan-2-ylphenoxy)propyl]pyrrolidine?
The InChIKey is DHLNZABQDVASAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(2)16-8-4-9-17(13-16)19-12-6-11-18-10-5-7-15(18)3/h4,8-9,13-15H,5-7,10-12H2,1-3H3.
What are the key properties of 2-methyl-1-[3-(3-propan-2-ylphenoxy)propyl]pyrrolidine?
2-methyl-1-[3-(3-propan-2-ylphenoxy)propyl]pyrrolidine has a molecular weight of 261.41 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(3-propan-2-ylphenoxy)propyl]pyrrolidine is sourced from PubChem (CID 91223187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).