1-[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]propan-2-amine

C18H21NO — CID 63942350

IUPAC1-[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(Oc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C18H21NO/c1-13(19)10-14-4-2-7-17(11-14)20-18-9-8-15-5-3-6-16(15)12-18/h2,4,7-9,11-13H,3,5-6,10,19H2,1H3
InChIKeyFJTOZSYZTTVPLZ-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.86
Rot. Bonds4

About 1-[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]propan-2-amine

1-[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]propan-2-amine (PubChem CID 63942350) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]propan-2-amine
PubChem CID63942350
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(Oc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C18H21NO/c1-13(19)10-14-4-2-7-17(11-14)20-18-9-8-15-5-3-6-16(15)12-18/h2,4,7-9,11-13H,3,5-6,10,19H2,1H3
InChIKeyFJTOZSYZTTVPLZ-UHFFFAOYSA-N
XLogP3.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]-N-methylmethanamine
CID 63942120
4-[3-(2-aminopropyl)phenoxy]aniline
CID 116996628
1-[3-(3-ethylphenoxy)phenyl]propan-2-amine
CID 63942734
1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine
CID 63941952
1-[3-(3,5-dimethoxyphenoxy)phenyl]propan-2-amine
CID 63941754
N-[[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]methanesulfonamide
CID 90875893
1-[3-(3,5-difluorophenoxy)phenyl]propan-2-amine
CID 63943526
1-(3-pyridin-3-yloxyphenyl)propan-2-amine
CID 63941950
1-[3-(3-bromo-4-fluorophenoxy)phenyl]propan-2-amine
CID 83234688
1-[3-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63943521
(2R)-1-(3-butoxyphenyl)propan-2-amine
CID 171719991
1-(3-cyclopentyloxyphenyl)propan-2-amine;hydrochloride
CID 54592852

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]propan-2-amine (CID 63942350) is 1-[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]propan-2-amine is CC(N)Cc1cccc(Oc2ccc3c(c2)CCC3)c1.
What is the InChIKey of 1-[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]propan-2-amine?
The InChIKey is FJTOZSYZTTVPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13(19)10-14-4-2-7-17(11-14)20-18-9-8-15-5-3-6-16(15)12-18/h2,4,7-9,11-13H,3,5-6,10,19H2,1H3.
What are the key properties of 1-[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]propan-2-amine?
1-[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]propan-2-amine has a molecular weight of 267.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]propan-2-amine is sourced from PubChem (CID 63942350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).