N-[(2-butyl-1-benzofuran-3-yl)methyl]butan-2-amine

C17H25NO — CID 43392136

IUPACN-[(2-butyl-1-benzofuran-3-yl)methyl]butan-2-amine
SMILESCCCCc1oc2ccccc2c1CNC(C)CC
InChIInChI=1S/C17H25NO/c1-4-6-10-17-15(12-18-13(3)5-2)14-9-7-8-11-16(14)19-17/h7-9,11,13,18H,4-6,10,12H2,1-3H3
InChIKeyMDQYZZLJIGRYGN-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.66
Rot. Bonds7

About N-[(2-butyl-1-benzofuran-3-yl)methyl]butan-2-amine

N-[(2-butyl-1-benzofuran-3-yl)methyl]butan-2-amine (PubChem CID 43392136) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[(2-butyl-1-benzofuran-3-yl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(2-butyl-1-benzofuran-3-yl)methyl]butan-2-amine
PubChem CID43392136
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[(2-butyl-1-benzofuran-3-yl)methyl]butan-2-amine
SMILESCCCCc1oc2ccccc2c1CNC(C)CC
InChIInChI=1S/C17H25NO/c1-4-6-10-17-15(12-18-13(3)5-2)14-9-7-8-11-16(14)19-17/h7-9,11,13,18H,4-6,10,12H2,1-3H3
InChIKeyMDQYZZLJIGRYGN-UHFFFAOYSA-N
XLogP4.66
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-cyclopropylethanamine
CID 43400232
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylpentan-3-amine
CID 106328362
N-[(2-butyl-1-benzofuran-3-yl)methyl]piperidin-1-amine
CID 83009139
(2-butyl-1-benzofuran-3-yl)methanamine
CID 43492779
(2R)-2-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-1-ol
CID 114986912
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylheptan-2-amine
CID 43226091
3-[(2-butyl-1-benzofuran-3-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103731518
3-[(2-ethyl-1-benzofuran-3-yl)methylamino]butan-1-ol
CID 78997742
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 63982938
methyl 2-[(2-butyl-1-benzofuran-3-yl)methylamino]acetate
CID 43494618
N-[(2-butyl-1-benzofuran-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 43392179
N-[(2-butyl-1-benzofuran-3-yl)methyl]pyrimidin-5-amine
CID 107588194

Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-1-benzofuran-3-yl)methyl]butan-2-amine?
The IUPAC name of N-[(2-butyl-1-benzofuran-3-yl)methyl]butan-2-amine (CID 43392136) is N-[(2-butyl-1-benzofuran-3-yl)methyl]butan-2-amine.
What is the SMILES notation for N-[(2-butyl-1-benzofuran-3-yl)methyl]butan-2-amine?
The canonical SMILES for N-[(2-butyl-1-benzofuran-3-yl)methyl]butan-2-amine is CCCCc1oc2ccccc2c1CNC(C)CC.
What is the InChIKey of N-[(2-butyl-1-benzofuran-3-yl)methyl]butan-2-amine?
The InChIKey is MDQYZZLJIGRYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-4-6-10-17-15(12-18-13(3)5-2)14-9-7-8-11-16(14)19-17/h7-9,11,13,18H,4-6,10,12H2,1-3H3.
What are the key properties of N-[(2-butyl-1-benzofuran-3-yl)methyl]butan-2-amine?
N-[(2-butyl-1-benzofuran-3-yl)methyl]butan-2-amine has a molecular weight of 259.39 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-1-benzofuran-3-yl)methyl]butan-2-amine is sourced from PubChem (CID 43392136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).