3-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine

C17H27NO — CID 66361361

IUPAC3-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine
SMILESCCC(CC)(CC)NCC1Cc2cc(C)ccc2O1
InChIInChI=1S/C17H27NO/c1-5-17(6-2,7-3)18-12-15-11-14-10-13(4)8-9-16(14)19-15/h8-10,15,18H,5-7,11-12H2,1-4H3
InChIKeyXWBVFOGNHWQXMN-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.86
Rot. Bonds6

About 3-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine

3-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine (PubChem CID 66361361) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine.

Molecular Properties

Compound Name3-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine
PubChem CID66361361
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine
SMILESCCC(CC)(CC)NCC1Cc2cc(C)ccc2O1
InChIInChI=1S/C17H27NO/c1-5-17(6-2,7-3)18-12-15-11-14-10-13(4)8-9-16(14)19-15/h8-10,15,18H,5-7,11-12H2,1-4H3
InChIKeyXWBVFOGNHWQXMN-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine with MolForge

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Related Compounds

1-chloro-2-(chloromethyl)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 107867024
2-ethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]butanoic acid
CID 79803697
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-3-amine
CID 66365713
2-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine
CID 66360193
1-chloro-2-(chloromethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 107867075
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine
CID 66360582
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentanamine
CID 66360179
3,3-dimethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 104828148
2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol
CID 66359994
N'-ethyl-N'-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 66361548
2-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropan-1-amine
CID 114108224
2-ethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol
CID 66393519

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine?
The IUPAC name of 3-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine (CID 66361361) is 3-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine.
What is the SMILES notation for 3-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine?
The canonical SMILES for 3-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine is CCC(CC)(CC)NCC1Cc2cc(C)ccc2O1.
What is the InChIKey of 3-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine?
The InChIKey is XWBVFOGNHWQXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-17(6-2,7-3)18-12-15-11-14-10-13(4)8-9-16(14)19-15/h8-10,15,18H,5-7,11-12H2,1-4H3.
What are the key properties of 3-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine?
3-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine has a molecular weight of 261.41 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine is sourced from PubChem (CID 66361361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).