1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopentyl]-N-methylmethanamine

C16H23NO — CID 79229912

IUPAC1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopentyl]-N-methylmethanamine
SMILESCNCC1(CC2COc3ccccc32)CCCC1
InChIInChI=1S/C16H23NO/c1-17-12-16(8-4-5-9-16)10-13-11-18-15-7-3-2-6-14(13)15/h2-3,6-7,13,17H,4-5,8-12H2,1H3
InChIKeyCDFNAYZLDWWEBM-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.33
Rot. Bonds4

About 1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopentyl]-N-methylmethanamine

1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopentyl]-N-methylmethanamine (PubChem CID 79229912) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopentyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopentyl]-N-methylmethanamine
PubChem CID79229912
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopentyl]-N-methylmethanamine
SMILESCNCC1(CC2COc3ccccc32)CCCC1
InChIInChI=1S/C16H23NO/c1-17-12-16(8-4-5-9-16)10-13-11-18-15-7-3-2-6-14(13)15/h2-3,6-7,13,17H,4-5,8-12H2,1H3
InChIKeyCDFNAYZLDWWEBM-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclooctan-1-amine
CID 80604001
[4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-yl]methanamine
CID 79229754
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopropan-1-amine
CID 79220094
N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 79219918
N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 79229598
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(2,3-dihydro-1-benzofuran-3-yl)methanamine
CID 114757554
4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-amine
CID 79219418
3-benzyl-2,3-dihydro-1-benzofuran
CID 11356275
3-[[3-(bromomethyl)-2-methyloxolan-3-yl]methyl]-2,3-dihydro-1-benzofuran
CID 114536040
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylcyclohexane-1-carbonitrile
CID 79218364
3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-amine
CID 79220520
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylbutan-1-amine
CID 79229508

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopentyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopentyl]-N-methylmethanamine (CID 79229912) is 1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopentyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopentyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopentyl]-N-methylmethanamine is CNCC1(CC2COc3ccccc32)CCCC1.
What is the InChIKey of 1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopentyl]-N-methylmethanamine?
The InChIKey is CDFNAYZLDWWEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-17-12-16(8-4-5-9-16)10-13-11-18-15-7-3-2-6-14(13)15/h2-3,6-7,13,17H,4-5,8-12H2,1H3.
What are the key properties of 1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopentyl]-N-methylmethanamine?
1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopentyl]-N-methylmethanamine has a molecular weight of 245.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopentyl]-N-methylmethanamine is sourced from PubChem (CID 79229912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).