(5-chloro-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanamine

C16H20ClNO — CID 63549324

IUPAC(5-chloro-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanamine
SMILESCc1c(C(N)C2CCCCC2)oc2ccc(Cl)cc12
InChIInChI=1S/C16H20ClNO/c1-10-13-9-12(17)7-8-14(13)19-16(10)15(18)11-5-3-2-4-6-11/h7-9,11,15H,2-6,18H2,1H3
InChIKeyPLHFRUOUZAOKEA-UHFFFAOYSA-N
MW277.79 g/mol
LogP4.97
Rot. Bonds2

About (5-chloro-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanamine

(5-chloro-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanamine (PubChem CID 63549324) has the molecular formula C16H20ClNO and a molecular weight of 277.79 g/mol. Its IUPAC name is (5-chloro-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanamine.

Molecular Properties

Compound Name(5-chloro-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanamine
PubChem CID63549324
Molecular FormulaC16H20ClNO
Molecular Weight277.79 g/mol
Exact Mass277.12
IUPAC Name(5-chloro-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanamine
SMILESCc1c(C(N)C2CCCCC2)oc2ccc(Cl)cc12
InChIInChI=1S/C16H20ClNO/c1-10-13-9-12(17)7-8-14(13)19-16(10)15(18)11-5-3-2-4-6-11/h7-9,11,15H,2-6,18H2,1H3
InChIKeyPLHFRUOUZAOKEA-UHFFFAOYSA-N
XLogP4.97
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.79
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine
CID 63068378
2-[chloro(cyclohexyl)methyl]-5-fluoro-3-methyl-1-benzofuran
CID 66777694
(5-bromo-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanol
CID 66778775
cyclohexyl-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanol
CID 66777937
(5-chloro-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 62073231
(3-chloro-4-fluorophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanamine
CID 63549669
(S)-(4-chloro-2-methylphenyl)-cyclopentylmethanamine
CID 131595762
(5-chloro-3-methyl-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine
CID 62073399
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 124689111
4-[amino-(5-chloro-3-methyl-1-benzofuran-2-yl)methyl]benzonitrile
CID 62072398
(5-chloro-2-methyl-1H-indol-3-yl)-cyclopentylmethanamine
CID 82279351
(4-chlorophenyl)-cyclohexylmethanamine
CID 12559039

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanamine?
The IUPAC name of (5-chloro-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanamine (CID 63549324) is (5-chloro-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanamine.
What is the SMILES notation for (5-chloro-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanamine?
The canonical SMILES for (5-chloro-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanamine is Cc1c(C(N)C2CCCCC2)oc2ccc(Cl)cc12.
What is the InChIKey of (5-chloro-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanamine?
The InChIKey is PLHFRUOUZAOKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO/c1-10-13-9-12(17)7-8-14(13)19-16(10)15(18)11-5-3-2-4-6-11/h7-9,11,15H,2-6,18H2,1H3.
What are the key properties of (5-chloro-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanamine?
(5-chloro-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanamine has a molecular weight of 277.79 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanamine is sourced from PubChem (CID 63549324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).