N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylheptan-2-amine

C19H29NO — CID 43226091

IUPACN-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylheptan-2-amine
SMILESCCc1oc2ccccc2c1CNC(C)CCCC(C)C
InChIInChI=1S/C19H29NO/c1-5-18-17(16-11-6-7-12-19(16)21-18)13-20-15(4)10-8-9-14(2)3/h6-7,11-12,14-15,20H,5,8-10,13H2,1-4H3
InChIKeyXLYAHOKCZAWGIW-UHFFFAOYSA-N
MW287.45 g/mol
LogP5.30
Rot. Bonds8

About N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylheptan-2-amine

N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylheptan-2-amine (PubChem CID 43226091) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylheptan-2-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylheptan-2-amine
PubChem CID43226091
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylheptan-2-amine
SMILESCCc1oc2ccccc2c1CNC(C)CCCC(C)C
InChIInChI=1S/C19H29NO/c1-5-18-17(16-11-6-7-12-19(16)21-18)13-20-15(4)10-8-9-14(2)3/h6-7,11-12,14-15,20H,5,8-10,13H2,1-4H3
InChIKeyXLYAHOKCZAWGIW-UHFFFAOYSA-N
XLogP5.30
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-ethyl-1-benzofuran-3-yl)methylamino]butan-1-ol
CID 78997742
(2R)-2-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-1-ol
CID 114986912
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-methylbutan-2-amine
CID 43226118
2-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477023
3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-2-methylbutan-1-ol
CID 115644591
N-[(2-butyl-1-benzofuran-3-yl)methyl]butan-2-amine
CID 43392136
3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 106349047
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 43226121
1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol
CID 43226104
2-[(2-ethyl-1-benzofuran-3-yl)methylamino]-N-propylpropanamide
CID 43226132
N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine
CID 60888739
N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 43665972

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylheptan-2-amine?
The IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylheptan-2-amine (CID 43226091) is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylheptan-2-amine.
What is the SMILES notation for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylheptan-2-amine?
The canonical SMILES for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylheptan-2-amine is CCc1oc2ccccc2c1CNC(C)CCCC(C)C.
What is the InChIKey of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylheptan-2-amine?
The InChIKey is XLYAHOKCZAWGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-5-18-17(16-11-6-7-12-19(16)21-18)13-20-15(4)10-8-9-14(2)3/h6-7,11-12,14-15,20H,5,8-10,13H2,1-4H3.
What are the key properties of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylheptan-2-amine?
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylheptan-2-amine has a molecular weight of 287.45 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylheptan-2-amine is sourced from PubChem (CID 43226091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).