N-[1-(furan-2-yl)propan-2-yl]-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine

C18H25NO2 — CID 63084124

IUPACN-[1-(furan-2-yl)propan-2-yl]-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(C)Cc1ccco1
InChIInChI=1S/C18H25NO2/c1-12(8-14-6-5-7-20-14)19-16-10-18(3,4)11-17-15(16)9-13(2)21-17/h5-7,9,12,16,19H,8,10-11H2,1-4H3
InChIKeyCCYSOSPMDBTUGT-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.42
Rot. Bonds4

About N-[1-(furan-2-yl)propan-2-yl]-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine

N-[1-(furan-2-yl)propan-2-yl]-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine (PubChem CID 63084124) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine
PubChem CID63084124
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(C)Cc1ccco1
InChIInChI=1S/C18H25NO2/c1-12(8-14-6-5-7-20-14)19-16-10-18(3,4)11-17-15(16)9-13(2)21-17/h5-7,9,12,16,19H,8,10-11H2,1-4H3
InChIKeyCCYSOSPMDBTUGT-UHFFFAOYSA-N
XLogP4.42
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(furan-2-yl)propan-2-yl]-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine with MolForge

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Related Compounds

2-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)propane-1,2-diamine
CID 103388766
N-(1-methoxypropan-2-yl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine
CID 55085991
N-[1-(furan-2-yl)propan-2-yl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 63100256
6-chloro-N-[1-(furan-2-yl)propan-2-yl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 83066596
3-[1-(furan-2-yl)propan-2-ylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 43693108
1-(furan-2-yl)-N-[1-(1-methylcyclopropyl)ethyl]propan-2-amine
CID 43693033
N-[1-(furan-2-yl)propan-2-yl]-3,4-dihydro-1H-isothiochromen-4-amine
CID 43783217
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
2-bromo-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)furan-3-carboxamide
CID 106853310
N-[1-(furan-2-yl)propan-2-yl]-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687266
4-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1,4-diamine
CID 63086190
N-[1-(furan-2-yl)propan-2-yl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863690

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine (CID 63084124) is N-[1-(furan-2-yl)propan-2-yl]-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine is Cc1cc2c(o1)CC(C)(C)CC2NC(C)Cc1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine?
The InChIKey is CCYSOSPMDBTUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-12(8-14-6-5-7-20-14)19-16-10-18(3,4)11-17-15(16)9-13(2)21-17/h5-7,9,12,16,19H,8,10-11H2,1-4H3.
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine?
N-[1-(furan-2-yl)propan-2-yl]-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine has a molecular weight of 287.40 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propan-2-yl]-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine is sourced from PubChem (CID 63084124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).