N-(cyclohexylmethyl)-1-(7-methoxy-1-benzofuran-2-yl)ethanamine

C18H25NO2 — CID 43244143

IUPACN-(cyclohexylmethyl)-1-(7-methoxy-1-benzofuran-2-yl)ethanamine
SMILESCOc1cccc2cc(C(C)NCC3CCCCC3)oc12
InChIInChI=1S/C18H25NO2/c1-13(19-12-14-7-4-3-5-8-14)17-11-15-9-6-10-16(20-2)18(15)21-17/h6,9-11,13-14,19H,3-5,7-8,12H2,1-2H3
InChIKeyCTZNHDOSJQDRCC-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.67
Rot. Bonds5

About N-(cyclohexylmethyl)-1-(7-methoxy-1-benzofuran-2-yl)ethanamine

N-(cyclohexylmethyl)-1-(7-methoxy-1-benzofuran-2-yl)ethanamine (PubChem CID 43244143) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-(7-methoxy-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-(7-methoxy-1-benzofuran-2-yl)ethanamine
PubChem CID43244143
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-(cyclohexylmethyl)-1-(7-methoxy-1-benzofuran-2-yl)ethanamine
SMILESCOc1cccc2cc(C(C)NCC3CCCCC3)oc12
InChIInChI=1S/C18H25NO2/c1-13(19-12-14-7-4-3-5-8-14)17-11-15-9-6-10-16(20-2)18(15)21-17/h6,9-11,13-14,19H,3-5,7-8,12H2,1-2H3
InChIKeyCTZNHDOSJQDRCC-UHFFFAOYSA-N
XLogP4.67
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 175069255
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclopentanamine
CID 43200727
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]thian-3-amine
CID 115882048
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-methylbut-2-en-1-amine
CID 104578626
3,3,3-trifluoro-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 63225887
1-cyclopentyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]methanamine
CID 43432532
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(oxan-4-yl)ethanamine
CID 75427573
3-methoxy-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclobutan-1-amine
CID 104584510
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]hex-5-yn-1-amine
CID 103921979
1-(7-methoxy-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)ethanamine
CID 104578623
2-[[1-(7-butoxy-1-benzofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 175067207
(1R)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-1-(7-ethoxy-1-benzofuran-2-yl)ethanamine
CID 97336049

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-(7-methoxy-1-benzofuran-2-yl)ethanamine?
The IUPAC name of N-(cyclohexylmethyl)-1-(7-methoxy-1-benzofuran-2-yl)ethanamine (CID 43244143) is N-(cyclohexylmethyl)-1-(7-methoxy-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-1-(7-methoxy-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-1-(7-methoxy-1-benzofuran-2-yl)ethanamine is COc1cccc2cc(C(C)NCC3CCCCC3)oc12.
What is the InChIKey of N-(cyclohexylmethyl)-1-(7-methoxy-1-benzofuran-2-yl)ethanamine?
The InChIKey is CTZNHDOSJQDRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-13(19-12-14-7-4-3-5-8-14)17-11-15-9-6-10-16(20-2)18(15)21-17/h6,9-11,13-14,19H,3-5,7-8,12H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-1-(7-methoxy-1-benzofuran-2-yl)ethanamine?
N-(cyclohexylmethyl)-1-(7-methoxy-1-benzofuran-2-yl)ethanamine has a molecular weight of 287.40 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-(7-methoxy-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 43244143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).