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

C17H20ClNO2 — CID 81296849

IUPAC5-chloro-N-[3-(furan-2-ylmethoxy)propyl]-2,3-dihydro-1H-inden-1-amine
SMILESClc1ccc2c(c1)CCC2NCCCOCc1ccco1
InChIInChI=1S/C17H20ClNO2/c18-14-5-6-16-13(11-14)4-7-17(16)19-8-2-9-20-12-15-3-1-10-21-15/h1,3,5-6,10-11,17,19H,2,4,7-9,12H2
InChIKeyHRWOPTQFJJNXQK-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.12
Rot. Bonds7

About 5-chloro-N-[3-(furan-2-ylmethoxy)propyl]-2,3-dihydro-1H-inden-1-amine

5-chloro-N-[3-(furan-2-ylmethoxy)propyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 81296849) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 5-chloro-N-[3-(furan-2-ylmethoxy)propyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-chloro-N-[3-(furan-2-ylmethoxy)propyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID81296849
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name5-chloro-N-[3-(furan-2-ylmethoxy)propyl]-2,3-dihydro-1H-inden-1-amine
SMILESClc1ccc2c(c1)CCC2NCCCOCc1ccco1
InChIInChI=1S/C17H20ClNO2/c18-14-5-6-16-13(11-14)4-7-17(16)19-8-2-9-20-12-15-3-1-10-21-15/h1,3,5-6,10-11,17,19H,2,4,7-9,12H2
InChIKeyHRWOPTQFJJNXQK-UHFFFAOYSA-N
XLogP4.12
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.12
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

N-[3-(furan-2-ylmethoxy)propyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 81296847
N-[3-(furan-2-ylmethoxy)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43096825
5-chloro-N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 81339239
N'-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine;hydrochloride
CID 139930761
5-chloro-N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-amine
CID 81343383
N-[3-(furan-2-ylmethoxy)propyl]-1-methylpiperidin-4-amine
CID 28681139
N-[3-(furan-2-ylmethoxy)propyl]bicyclo[2.2.1]heptan-2-amine
CID 61308016
1-(3-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine
CID 43100874
5-chloro-N-(2-methylsulfinylethyl)-2,3-dihydro-1H-inden-1-amine
CID 115720823
N-[3-(furan-2-ylmethoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753620
N-(cyclopentylmethyl)-3-(furan-2-ylmethoxy)propan-1-amine
CID 62071034
N-[3-(furan-2-ylmethoxy)propyl]-2-methylthiolan-3-amine
CID 102671412

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(furan-2-ylmethoxy)propyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-chloro-N-[3-(furan-2-ylmethoxy)propyl]-2,3-dihydro-1H-inden-1-amine (CID 81296849) is 5-chloro-N-[3-(furan-2-ylmethoxy)propyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-chloro-N-[3-(furan-2-ylmethoxy)propyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-chloro-N-[3-(furan-2-ylmethoxy)propyl]-2,3-dihydro-1H-inden-1-amine is Clc1ccc2c(c1)CCC2NCCCOCc1ccco1.
What is the InChIKey of 5-chloro-N-[3-(furan-2-ylmethoxy)propyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is HRWOPTQFJJNXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c18-14-5-6-16-13(11-14)4-7-17(16)19-8-2-9-20-12-15-3-1-10-21-15/h1,3,5-6,10-11,17,19H,2,4,7-9,12H2.
What are the key properties of 5-chloro-N-[3-(furan-2-ylmethoxy)propyl]-2,3-dihydro-1H-inden-1-amine?
5-chloro-N-[3-(furan-2-ylmethoxy)propyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 305.81 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(furan-2-ylmethoxy)propyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 81296849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).