N-[3-(furan-2-ylmethoxy)propyl]-6-methyl-2,3-dihydro-1H-inden-1-amine

C18H23NO2 — CID 81296847

IUPACN-[3-(furan-2-ylmethoxy)propyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc2c(c1)C(NCCCOCc1ccco1)CC2
InChIInChI=1S/C18H23NO2/c1-14-5-6-15-7-8-18(17(15)12-14)19-9-3-10-20-13-16-4-2-11-21-16/h2,4-6,11-12,18-19H,3,7-10,13H2,1H3
InChIKeyWZIXMYRKGWLUKE-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.77
Rot. Bonds7

About N-[3-(furan-2-ylmethoxy)propyl]-6-methyl-2,3-dihydro-1H-inden-1-amine

N-[3-(furan-2-ylmethoxy)propyl]-6-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 81296847) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethoxy)propyl]-6-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethoxy)propyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID81296847
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[3-(furan-2-ylmethoxy)propyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc2c(c1)C(NCCCOCc1ccco1)CC2
InChIInChI=1S/C18H23NO2/c1-14-5-6-15-7-8-18(17(15)12-14)19-9-3-10-20-13-16-4-2-11-21-16/h2,4-6,11-12,18-19H,3,7-10,13H2,1H3
InChIKeyWZIXMYRKGWLUKE-UHFFFAOYSA-N
XLogP3.77
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[3-(furan-2-ylmethoxy)propyl]-2,3-dihydro-1H-inden-1-amine
CID 81296849
N-[3-(furan-2-ylmethoxy)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43096825
(1S)-N-(2-methoxyethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 97357930
N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 113261344
N-[3-(furan-2-ylmethoxy)propyl]-1-methylpiperidin-4-amine
CID 28681139
5-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]pentanamide
CID 114161832
6-methyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 81300518
N-[3-(furan-2-ylmethoxy)propyl]-5,5-dimethylthian-3-amine
CID 79956139
N-[3-(furan-2-ylmethoxy)propyl]bicyclo[2.2.1]heptan-2-amine
CID 61308016
3-[(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 115765361
N-[3-(furan-2-ylmethoxy)propyl]-2-methylthiolan-3-amine
CID 102671412
6-methyl-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 81301273

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-6-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-6-methyl-2,3-dihydro-1H-inden-1-amine (CID 81296847) is N-[3-(furan-2-ylmethoxy)propyl]-6-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[3-(furan-2-ylmethoxy)propyl]-6-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[3-(furan-2-ylmethoxy)propyl]-6-methyl-2,3-dihydro-1H-inden-1-amine is Cc1ccc2c(c1)C(NCCCOCc1ccco1)CC2.
What is the InChIKey of N-[3-(furan-2-ylmethoxy)propyl]-6-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is WZIXMYRKGWLUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14-5-6-15-7-8-18(17(15)12-14)19-9-3-10-20-13-16-4-2-11-21-16/h2,4-6,11-12,18-19H,3,7-10,13H2,1H3.
What are the key properties of N-[3-(furan-2-ylmethoxy)propyl]-6-methyl-2,3-dihydro-1H-inden-1-amine?
N-[3-(furan-2-ylmethoxy)propyl]-6-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethoxy)propyl]-6-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 81296847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).