N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C13H21NO — CID 43208271

IUPACN-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCC(C)CCNC1CCCc2occc21
InChIInChI=1S/C13H21NO/c1-10(2)6-8-14-12-4-3-5-13-11(12)7-9-15-13/h7,9-10,12,14H,3-6,8H2,1-2H3
InChIKeyBAIANPICEZECPX-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.29
Rot. Bonds4

About N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 43208271) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID43208271
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCC(C)CCNC1CCCc2occc21
InChIInChI=1S/C13H21NO/c1-10(2)6-8-14-12-4-3-5-13-11(12)7-9-15-13/h7,9-10,12,14H,3-6,8H2,1-2H3
InChIKeyBAIANPICEZECPX-UHFFFAOYSA-N
XLogP3.29
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 43208271) is N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is CC(C)CCNC1CCCc2occc21.
What is the InChIKey of N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is BAIANPICEZECPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)6-8-14-12-4-3-5-13-11(12)7-9-15-13/h7,9-10,12,14H,3-6,8H2,1-2H3.
What are the key properties of N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 207.32 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 43208271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).