3-(4-propan-2-ylphenoxy)-2-pyrrolidin-1-ylpropan-1-amine

C16H26N2O — CID 112500967

IUPAC3-(4-propan-2-ylphenoxy)-2-pyrrolidin-1-ylpropan-1-amine
SMILESCC(C)c1ccc(OCC(CN)N2CCCC2)cc1
InChIInChI=1S/C16H26N2O/c1-13(2)14-5-7-16(8-6-14)19-12-15(11-17)18-9-3-4-10-18/h5-8,13,15H,3-4,9-12,17H2,1-2H3
InChIKeyRMDNSFHUIGKEBU-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.61
Rot. Bonds6

About 3-(4-propan-2-ylphenoxy)-2-pyrrolidin-1-ylpropan-1-amine

3-(4-propan-2-ylphenoxy)-2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 112500967) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(4-propan-2-ylphenoxy)-2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-propan-2-ylphenoxy)-2-pyrrolidin-1-ylpropan-1-amine
PubChem CID112500967
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-(4-propan-2-ylphenoxy)-2-pyrrolidin-1-ylpropan-1-amine
SMILESCC(C)c1ccc(OCC(CN)N2CCCC2)cc1
InChIInChI=1S/C16H26N2O/c1-13(2)14-5-7-16(8-6-14)19-12-15(11-17)18-9-3-4-10-18/h5-8,13,15H,3-4,9-12,17H2,1-2H3
InChIKeyRMDNSFHUIGKEBU-UHFFFAOYSA-N
XLogP2.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methylpropoxy)phenyl]-2-pyrrolidin-1-ylethanamine
CID 112512800
4-(4-fluorophenoxy)-3-pyrrolidin-1-ylbutan-1-amine
CID 112501022
1-amino-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 16642374
1-(4-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 21237689
(2S)-2-morpholin-4-yl-3-phenoxypropan-1-amine
CID 28920169
1-[3-[(4-propan-2-ylphenoxy)methyl]pentyl]piperidine
CID 67869291
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-propan-2-ylphenoxy)propyl]piperazin-1-yl]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 51623853
1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-one
CID 94689193
2-(4-ethylpiperazin-1-yl)-2-[4-(2-methylpropoxy)phenyl]ethanamine
CID 83979698
2-amino-1-[4-(2-methylpropoxy)phenyl]ethanol
CID 102533878
CID 161147503
CID 161147503
2-[4-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylethanamine
CID 16790891

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylphenoxy)-2-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 3-(4-propan-2-ylphenoxy)-2-pyrrolidin-1-ylpropan-1-amine (CID 112500967) is 3-(4-propan-2-ylphenoxy)-2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 3-(4-propan-2-ylphenoxy)-2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 3-(4-propan-2-ylphenoxy)-2-pyrrolidin-1-ylpropan-1-amine is CC(C)c1ccc(OCC(CN)N2CCCC2)cc1.
What is the InChIKey of 3-(4-propan-2-ylphenoxy)-2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is RMDNSFHUIGKEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(2)14-5-7-16(8-6-14)19-12-15(11-17)18-9-3-4-10-18/h5-8,13,15H,3-4,9-12,17H2,1-2H3.
What are the key properties of 3-(4-propan-2-ylphenoxy)-2-pyrrolidin-1-ylpropan-1-amine?
3-(4-propan-2-ylphenoxy)-2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylphenoxy)-2-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 112500967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).