2,3-dihydro-1-benzofuran-5-yl-(1-methoxycyclohexyl)methanamine

C16H23NO2 — CID 116762801

IUPAC2,3-dihydro-1-benzofuran-5-yl-(1-methoxycyclohexyl)methanamine
SMILESCOC1(C(N)c2ccc3c(c2)CCO3)CCCCC1
InChIInChI=1S/C16H23NO2/c1-18-16(8-3-2-4-9-16)15(17)13-5-6-14-12(11-13)7-10-19-14/h5-6,11,15H,2-4,7-10,17H2,1H3
InChIKeyKADHNZCBHPRBMV-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.97
Rot. Bonds3

About 2,3-dihydro-1-benzofuran-5-yl-(1-methoxycyclohexyl)methanamine

2,3-dihydro-1-benzofuran-5-yl-(1-methoxycyclohexyl)methanamine (PubChem CID 116762801) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-(1-methoxycyclohexyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-(1-methoxycyclohexyl)methanamine
PubChem CID116762801
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-(1-methoxycyclohexyl)methanamine
SMILESCOC1(C(N)c2ccc3c(c2)CCO3)CCCCC1
InChIInChI=1S/C16H23NO2/c1-18-16(8-3-2-4-9-16)15(17)13-5-6-14-12(11-13)7-10-19-14/h5-6,11,15H,2-4,7-10,17H2,1H3
InChIKeyKADHNZCBHPRBMV-UHFFFAOYSA-N
XLogP2.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
CID 116763076
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)propan-1-amine
CID 116713989
[1-[amino(2,3-dihydro-1-benzofuran-5-yl)methyl]cyclobutyl]methanol
CID 116944240
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethoxyethanamine
CID 104542714
2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methanol
CID 106828274
1-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N,N-dimethylmethanamine
CID 116914533
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 43198411
(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride
CID 171202474
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-amine;hydrochloride
CID 86263152
cyclooctyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 65018642
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine
CID 43198449
(S)-cyclohexyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 28500273

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(1-methoxycyclohexyl)methanamine?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(1-methoxycyclohexyl)methanamine (CID 116762801) is 2,3-dihydro-1-benzofuran-5-yl-(1-methoxycyclohexyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-(1-methoxycyclohexyl)methanamine?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-(1-methoxycyclohexyl)methanamine is COC1(C(N)c2ccc3c(c2)CCO3)CCCCC1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-(1-methoxycyclohexyl)methanamine?
The InChIKey is KADHNZCBHPRBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-18-16(8-3-2-4-9-16)15(17)13-5-6-14-12(11-13)7-10-19-14/h5-6,11,15H,2-4,7-10,17H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-(1-methoxycyclohexyl)methanamine?
2,3-dihydro-1-benzofuran-5-yl-(1-methoxycyclohexyl)methanamine has a molecular weight of 261.37 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl-(1-methoxycyclohexyl)methanamine is sourced from PubChem (CID 116762801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).