3-(furan-2-yl)-1-(2-propan-2-yloxyphenyl)propan-1-amine

C16H21NO2 — CID 105170945

IUPAC3-(furan-2-yl)-1-(2-propan-2-yloxyphenyl)propan-1-amine
SMILESCC(C)Oc1ccccc1C(N)CCc1ccco1
InChIInChI=1S/C16H21NO2/c1-12(2)19-16-8-4-3-7-14(16)15(17)10-9-13-6-5-11-18-13/h3-8,11-12,15H,9-10,17H2,1-2H3
InChIKeyIXNUZXOWMGSBNG-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.70
Rot. Bonds6

About 3-(furan-2-yl)-1-(2-propan-2-yloxyphenyl)propan-1-amine

3-(furan-2-yl)-1-(2-propan-2-yloxyphenyl)propan-1-amine (PubChem CID 105170945) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-(2-propan-2-yloxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-1-(2-propan-2-yloxyphenyl)propan-1-amine
PubChem CID105170945
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name3-(furan-2-yl)-1-(2-propan-2-yloxyphenyl)propan-1-amine
SMILESCC(C)Oc1ccccc1C(N)CCc1ccco1
InChIInChI=1S/C16H21NO2/c1-12(2)19-16-8-4-3-7-14(16)15(17)10-9-13-6-5-11-18-13/h3-8,11-12,15H,9-10,17H2,1-2H3
InChIKeyIXNUZXOWMGSBNG-UHFFFAOYSA-N
XLogP3.70
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-3-fluoro-1-(2-propan-2-yloxyphenyl)propan-1-amine
CID 171231545
(3S)-3-amino-3-(2-propan-2-yloxyphenyl)propan-1-ol;hydrochloride
CID 171231573
(1R)-1-(2-propan-2-yloxyphenyl)butane-1,4-diamine
CID 171211917
1-(2,3-dimethylphenyl)-3-(furan-2-yl)propan-1-amine
CID 105140596
4,4-dimethyl-1-(2-propan-2-yloxyphenyl)pentan-1-amine
CID 114211571
1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105171022
(3R)-1-(furan-2-yl)-4-methylpentan-3-amine
CID 94915074
3-(furan-2-yl)-1-(4-methyl-3-pyridinyl)propan-1-amine
CID 105164227
3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine
CID 105141555
(2-chlorofuran-3-yl)-(2-propan-2-yloxyphenyl)methanamine
CID 106692739
1-(4-chloro-2-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105173645
(1S)-1-(3,4-dimethylphenyl)-3-(furan-2-yl)propan-1-amine
CID 40511217

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-(2-propan-2-yloxyphenyl)propan-1-amine?
The IUPAC name of 3-(furan-2-yl)-1-(2-propan-2-yloxyphenyl)propan-1-amine (CID 105170945) is 3-(furan-2-yl)-1-(2-propan-2-yloxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(furan-2-yl)-1-(2-propan-2-yloxyphenyl)propan-1-amine?
The canonical SMILES for 3-(furan-2-yl)-1-(2-propan-2-yloxyphenyl)propan-1-amine is CC(C)Oc1ccccc1C(N)CCc1ccco1.
What is the InChIKey of 3-(furan-2-yl)-1-(2-propan-2-yloxyphenyl)propan-1-amine?
The InChIKey is IXNUZXOWMGSBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12(2)19-16-8-4-3-7-14(16)15(17)10-9-13-6-5-11-18-13/h3-8,11-12,15H,9-10,17H2,1-2H3.
What are the key properties of 3-(furan-2-yl)-1-(2-propan-2-yloxyphenyl)propan-1-amine?
3-(furan-2-yl)-1-(2-propan-2-yloxyphenyl)propan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-(2-propan-2-yloxyphenyl)propan-1-amine is sourced from PubChem (CID 105170945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).