N-(2-phenoxyethyl)-2,3-dihydro-1H-inden-1-amine

C17H19NO — CID 55024692

IUPACN-(2-phenoxyethyl)-2,3-dihydro-1H-inden-1-amine
SMILESc1ccc(OCCNC2CCc3ccccc32)cc1
InChIInChI=1S/C17H19NO/c1-2-7-15(8-3-1)19-13-12-18-17-11-10-14-6-4-5-9-16(14)17/h1-9,17-18H,10-13H2
InChIKeyCHHSPUFKPPPGHW-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.34
Rot. Bonds5

About N-(2-phenoxyethyl)-2,3-dihydro-1H-inden-1-amine

N-(2-phenoxyethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 55024692) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID55024692
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC NameN-(2-phenoxyethyl)-2,3-dihydro-1H-inden-1-amine
SMILESc1ccc(OCCNC2CCc3ccccc32)cc1
InChIInChI=1S/C17H19NO/c1-2-7-15(8-3-1)19-13-12-18-17-11-10-14-6-4-5-9-16(14)17/h1-9,17-18H,10-13H2
InChIKeyCHHSPUFKPPPGHW-UHFFFAOYSA-N
XLogP3.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-butoxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 115704394
1-(3-phenoxypropylamino)-2,3-dihydro-1H-inden-4-ol
CID 62380402
3-(2,3-dihydro-1H-inden-1-ylamino)propanoic acid
CID 43088449
N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466439
N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine
CID 63656053
N-[2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103777702
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid
CID 13100819
N-(cyclopentylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 43370878
2-(2,3-dihydro-1H-inden-1-yl)-N-(3-phenoxypropyl)acetamide
CID 86955466
N'-(1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine
CID 60888348
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;hydrochloride
CID 22976313
N-pent-4-ynyl-2,3-dihydro-1H-inden-1-amine
CID 115724846

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(2-phenoxyethyl)-2,3-dihydro-1H-inden-1-amine (CID 55024692) is N-(2-phenoxyethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(2-phenoxyethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(2-phenoxyethyl)-2,3-dihydro-1H-inden-1-amine is c1ccc(OCCNC2CCc3ccccc32)cc1.
What is the InChIKey of N-(2-phenoxyethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is CHHSPUFKPPPGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-7-15(8-3-1)19-13-12-18-17-11-10-14-6-4-5-9-16(14)17/h1-9,17-18H,10-13H2.
What are the key properties of N-(2-phenoxyethyl)-2,3-dihydro-1H-inden-1-amine?
N-(2-phenoxyethyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 253.34 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 55024692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).