2-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]cyclopentan-1-ol

C16H23NO2 — CID 106701232

IUPAC2-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]cyclopentan-1-ol
SMILESCC1(C)Oc2ccccc2C1NCC1CCCC1O
InChIInChI=1S/C16H23NO2/c1-16(2)15(12-7-3-4-9-14(12)19-16)17-10-11-6-5-8-13(11)18/h3-4,7,9,11,13,15,17-18H,5-6,8,10H2,1-2H3
InChIKeyALPFWAVGYDABSI-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.65
Rot. Bonds3

About 2-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]cyclopentan-1-ol

2-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 106701232) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]cyclopentan-1-ol
PubChem CID106701232
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name2-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]cyclopentan-1-ol
SMILESCC1(C)Oc2ccccc2C1NCC1CCCC1O
InChIInChI=1S/C16H23NO2/c1-16(2)15(12-7-3-4-9-14(12)19-16)17-10-11-6-5-8-13(11)18/h3-4,7,9,11,13,15,17-18H,5-6,8,10H2,1-2H3
InChIKeyALPFWAVGYDABSI-UHFFFAOYSA-N
XLogP2.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoprop-2-enyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701421
N-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701076
5-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]pyrrolidin-2-one
CID 106701184
N-(2-cyclohexyloxyethyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701163
6-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]hexan-1-ol
CID 107849705
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-methylacetamide
CID 106700860
2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]-3H-1-benzofuran-3-amine
CID 106701284
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701414
N-(2-methoxycyclopentyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701101
N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 106701120
2,2-dimethyl-N-[(E)-pent-3-enyl]-3H-1-benzofuran-3-amine
CID 106701422
N-tert-butyl-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]acetamide
CID 106701339

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]cyclopentan-1-ol (CID 106701232) is 2-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]cyclopentan-1-ol is CC1(C)Oc2ccccc2C1NCC1CCCC1O.
What is the InChIKey of 2-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is ALPFWAVGYDABSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2)15(12-7-3-4-9-14(12)19-16)17-10-11-6-5-8-13(11)18/h3-4,7,9,11,13,15,17-18H,5-6,8,10H2,1-2H3.
What are the key properties of 2-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]cyclopentan-1-ol?
2-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 261.36 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106701232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).