6-chloro-N-[1-(furan-2-yl)propan-2-yl]-2,2-dimethyl-1,3-dihydroinden-1-amine

C18H22ClNO — CID 83066596

IUPAC6-chloro-N-[1-(furan-2-yl)propan-2-yl]-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC(Cc1ccco1)NC1c2cc(Cl)ccc2CC1(C)C
InChIInChI=1S/C18H22ClNO/c1-12(9-15-5-4-8-21-15)20-17-16-10-14(19)7-6-13(16)11-18(17,2)3/h4-8,10,12,17,20H,9,11H2,1-3H3
InChIKeyBQLSMORBVOMOKY-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.78
Rot. Bonds4

About 6-chloro-N-[1-(furan-2-yl)propan-2-yl]-2,2-dimethyl-1,3-dihydroinden-1-amine

6-chloro-N-[1-(furan-2-yl)propan-2-yl]-2,2-dimethyl-1,3-dihydroinden-1-amine (PubChem CID 83066596) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 6-chloro-N-[1-(furan-2-yl)propan-2-yl]-2,2-dimethyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(furan-2-yl)propan-2-yl]-2,2-dimethyl-1,3-dihydroinden-1-amine
PubChem CID83066596
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name6-chloro-N-[1-(furan-2-yl)propan-2-yl]-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC(Cc1ccco1)NC1c2cc(Cl)ccc2CC1(C)C
InChIInChI=1S/C18H22ClNO/c1-12(9-15-5-4-8-21-15)20-17-16-10-14(19)7-6-13(16)11-18(17,2)3/h4-8,10,12,17,20H,9,11H2,1-3H3
InChIKeyBQLSMORBVOMOKY-UHFFFAOYSA-N
XLogP4.78
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(furan-2-yl)propan-2-yl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The IUPAC name of 6-chloro-N-[1-(furan-2-yl)propan-2-yl]-2,2-dimethyl-1,3-dihydroinden-1-amine (CID 83066596) is 6-chloro-N-[1-(furan-2-yl)propan-2-yl]-2,2-dimethyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for 6-chloro-N-[1-(furan-2-yl)propan-2-yl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The canonical SMILES for 6-chloro-N-[1-(furan-2-yl)propan-2-yl]-2,2-dimethyl-1,3-dihydroinden-1-amine is CC(Cc1ccco1)NC1c2cc(Cl)ccc2CC1(C)C.
What is the InChIKey of 6-chloro-N-[1-(furan-2-yl)propan-2-yl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The InChIKey is BQLSMORBVOMOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-12(9-15-5-4-8-21-15)20-17-16-10-14(19)7-6-13(16)11-18(17,2)3/h4-8,10,12,17,20H,9,11H2,1-3H3.
What are the key properties of 6-chloro-N-[1-(furan-2-yl)propan-2-yl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
6-chloro-N-[1-(furan-2-yl)propan-2-yl]-2,2-dimethyl-1,3-dihydroinden-1-amine has a molecular weight of 303.83 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(furan-2-yl)propan-2-yl]-2,2-dimethyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 83066596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).