N-[1-(1-methylcyclopropyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C14H21NO — CID 43173501

IUPACN-[1-(1-methylcyclopropyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCC(NC1CCCc2occc21)C1(C)CC1
InChIInChI=1S/C14H21NO/c1-10(14(2)7-8-14)15-12-4-3-5-13-11(12)6-9-16-13/h6,9-10,12,15H,3-5,7-8H2,1-2H3
InChIKeyQSJHGRUZETZILY-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.44
Rot. Bonds3

About N-[1-(1-methylcyclopropyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-[1-(1-methylcyclopropyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 43173501) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[1-(1-methylcyclopropyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-[1-(1-methylcyclopropyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID43173501
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[1-(1-methylcyclopropyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCC(NC1CCCc2occc21)C1(C)CC1
InChIInChI=1S/C14H21NO/c1-10(14(2)7-8-14)15-12-4-3-5-13-11(12)6-9-16-13/h6,9-10,12,15H,3-5,7-8H2,1-2H3
InChIKeyQSJHGRUZETZILY-UHFFFAOYSA-N
XLogP3.44
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(furan-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43208303
N-(3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 104827925
N-[(1S)-1-(4-methylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466604
1-N,1-N,3-trimethyl-2-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butane-1,2-diamine
CID 113315175
N-(1-ethoxypropan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 81297542
N-heptan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43094167
N-[1-(4-fluorophenyl)-2-methylpropyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466136
N-(1-phenylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 78923408
N-(2-methylpropoxy)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 82712185
N-[1-(furan-2-yl)propan-2-yl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 63100256
N-[(1S)-1-(2-chlorophenyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466625
N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43208271

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 43173501) is N-[1-(1-methylcyclopropyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-[1-(1-methylcyclopropyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-[1-(1-methylcyclopropyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is CC(NC1CCCc2occc21)C1(C)CC1.
What is the InChIKey of N-[1-(1-methylcyclopropyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is QSJHGRUZETZILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10(14(2)7-8-14)15-12-4-3-5-13-11(12)6-9-16-13/h6,9-10,12,15H,3-5,7-8H2,1-2H3.
What are the key properties of N-[1-(1-methylcyclopropyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-[1-(1-methylcyclopropyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 219.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylcyclopropyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 43173501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).