N-[2-(2,3-dihydro-1H-inden-5-yloxy)propyl]aniline

C18H21NO — CID 62598550

IUPACN-[2-(2,3-dihydro-1H-inden-5-yloxy)propyl]aniline
SMILESCC(CNc1ccccc1)Oc1ccc2c(c1)CCC2
InChIInChI=1S/C18H21NO/c1-14(13-19-17-8-3-2-4-9-17)20-18-11-10-15-6-5-7-16(15)12-18/h2-4,8-12,14,19H,5-7,13H2,1H3
InChIKeyBXYZACOGIDOSFX-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.05
Rot. Bonds5

About N-[2-(2,3-dihydro-1H-inden-5-yloxy)propyl]aniline

N-[2-(2,3-dihydro-1H-inden-5-yloxy)propyl]aniline (PubChem CID 62598550) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-5-yloxy)propyl]aniline.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)propyl]aniline
PubChem CID62598550
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)propyl]aniline
SMILESCC(CNc1ccccc1)Oc1ccc2c(c1)CCC2
InChIInChI=1S/C18H21NO/c1-14(13-19-17-8-3-2-4-9-17)20-18-11-10-15-6-5-7-16(15)12-18/h2-4,8-12,14,19H,5-7,13H2,1H3
InChIKeyBXYZACOGIDOSFX-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55093056
4-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-ol
CID 64719056
4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpentan-1-amine
CID 62460723
N-[2-(4-bromo-3-methylphenoxy)propyl]aniline
CID 83140021
N-ethyl-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 62486153
N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 62583134
2-(2,3-dihydro-1H-inden-5-yloxy)-4-(methylamino)butanoic acid
CID 112518654
3-(2,3-dihydro-1H-inden-5-yloxy)butan-2-amine
CID 61354580
(2S)-N-[(1S)-1-phenylpropyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100672901
2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutan-1-amine
CID 62459614
(2S)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100509467
1-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-one
CID 61398636

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)propyl]aniline?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)propyl]aniline (CID 62598550) is N-[2-(2,3-dihydro-1H-inden-5-yloxy)propyl]aniline.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-5-yloxy)propyl]aniline?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-5-yloxy)propyl]aniline is CC(CNc1ccccc1)Oc1ccc2c(c1)CCC2.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-5-yloxy)propyl]aniline?
The InChIKey is BXYZACOGIDOSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-14(13-19-17-8-3-2-4-9-17)20-18-11-10-15-6-5-7-16(15)12-18/h2-4,8-12,14,19H,5-7,13H2,1H3.
What are the key properties of N-[2-(2,3-dihydro-1H-inden-5-yloxy)propyl]aniline?
N-[2-(2,3-dihydro-1H-inden-5-yloxy)propyl]aniline has a molecular weight of 267.37 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-5-yloxy)propyl]aniline is sourced from PubChem (CID 62598550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).