[1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine

C15H20ClNO — CID 117418736

IUPAC[1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine
SMILESNCC1(c2cc(Cl)c3c(c2)CCO3)CCCCC1
InChIInChI=1S/C15H20ClNO/c16-13-9-12(8-11-4-7-18-14(11)13)15(10-17)5-2-1-3-6-15/h8-9H,1-7,10,17H2
InChIKeyNYVJOQOIWARXRU-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.44
Rot. Bonds2

About [1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine

[1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine (PubChem CID 117418736) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is [1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine
PubChem CID117418736
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name[1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine
SMILESNCC1(c2cc(Cl)c3c(c2)CCO3)CCCCC1
InChIInChI=1S/C15H20ClNO/c16-13-9-12(8-11-4-7-18-14(11)13)15(10-17)5-2-1-3-6-15/h8-9H,1-7,10,17H2
InChIKeyNYVJOQOIWARXRU-UHFFFAOYSA-N
XLogP3.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine
CID 117366230
[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methanamine
CID 117495214
2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 83880247
7-chloro-5-(1-isocyanatocyclopentyl)-2,3-dihydro-1-benzofuran
CID 117414054
[1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine
CID 82608645
[1-(7-chloro-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine
CID 117452645
[1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine
CID 83824553
4-[1-(aminomethyl)cyclopentyl]-2-chloro-6-methylphenol
CID 84800194
5-[1-(aminomethyl)cyclopentyl]-3-chloro-2-fluorophenol
CID 84802259
[1-(4-chloro-1H-indol-6-yl)cyclopentyl]methanamine
CID 115004408
(1S)-1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 130658252
[1-(3-chloro-5-methylphenyl)cyclohexyl]methanamine
CID 84799016

Frequently Asked Questions

What is the IUPAC name of [1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine (CID 117418736) is [1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine is NCC1(c2cc(Cl)c3c(c2)CCO3)CCCCC1.
What is the InChIKey of [1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine?
The InChIKey is NYVJOQOIWARXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c16-13-9-12(8-11-4-7-18-14(11)13)15(10-17)5-2-1-3-6-15/h8-9H,1-7,10,17H2.
What are the key properties of [1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine?
[1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine has a molecular weight of 265.78 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine is sourced from PubChem (CID 117418736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).