5-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

C16H18ClNO — CID 81300722

IUPAC5-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc(C(C)NC2CCc3cc(Cl)ccc32)o1
InChIInChI=1S/C16H18ClNO/c1-10-3-8-16(19-10)11(2)18-15-7-4-12-9-13(17)5-6-14(12)15/h3,5-6,8-9,11,15,18H,4,7H2,1-2H3
InChIKeyKUNGUNISZQJFPN-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.58
Rot. Bonds3

About 5-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

5-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 81300722) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 5-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID81300722
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name5-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc(C(C)NC2CCc3cc(Cl)ccc32)o1
InChIInChI=1S/C16H18ClNO/c1-10-3-8-16(19-10)11(2)18-15-7-4-12-9-13(17)5-6-14(12)15/h3,5-6,8-9,11,15,18H,4,7H2,1-2H3
InChIKeyKUNGUNISZQJFPN-UHFFFAOYSA-N
XLogP4.58
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81328984
2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252386
5-chloro-N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 104827853
1-[1-(5-methylfuran-2-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 43685026
5-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81345201
3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 81338301
2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 81302223
1-N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79724744
5-chloro-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine
CID 115725341
N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149018
2-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 81345581
5-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81366167

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 81300722) is 5-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is Cc1ccc(C(C)NC2CCc3cc(Cl)ccc32)o1.
What is the InChIKey of 5-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is KUNGUNISZQJFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-10-3-8-16(19-10)11(2)18-15-7-4-12-9-13(17)5-6-14(12)15/h3,5-6,8-9,11,15,18H,4,7H2,1-2H3.
What are the key properties of 5-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
5-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 275.78 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 81300722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).