(5-methyl-1-benzofuran-2-yl)-(3-methylcyclopentyl)methanamine

C16H21NO — CID 114729273

IUPAC(5-methyl-1-benzofuran-2-yl)-(3-methylcyclopentyl)methanamine
SMILESCc1ccc2oc(C(N)C3CCC(C)C3)cc2c1
InChIInChI=1S/C16H21NO/c1-10-3-5-12(7-10)16(17)15-9-13-8-11(2)4-6-14(13)18-15/h4,6,8-10,12,16H,3,5,7,17H2,1-2H3
InChIKeyUYPZOXNNPNDIAO-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.18
Rot. Bonds2

About (5-methyl-1-benzofuran-2-yl)-(3-methylcyclopentyl)methanamine

(5-methyl-1-benzofuran-2-yl)-(3-methylcyclopentyl)methanamine (PubChem CID 114729273) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (5-methyl-1-benzofuran-2-yl)-(3-methylcyclopentyl)methanamine.

Molecular Properties

Compound Name(5-methyl-1-benzofuran-2-yl)-(3-methylcyclopentyl)methanamine
PubChem CID114729273
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(5-methyl-1-benzofuran-2-yl)-(3-methylcyclopentyl)methanamine
SMILESCc1ccc2oc(C(N)C3CCC(C)C3)cc2c1
InChIInChI=1S/C16H21NO/c1-10-3-5-12(7-10)16(17)15-9-13-8-11(2)4-6-14(13)18-15/h4,6,8-10,12,16H,3,5,7,17H2,1-2H3
InChIKeyUYPZOXNNPNDIAO-UHFFFAOYSA-N
XLogP4.18
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzofuran-2-yl-(4-methylcyclohexyl)methanamine
CID 64776063
(5-tert-butyl-1-benzofuran-2-yl)-cyclopropylmethanamine
CID 65438710
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
(5,6-dimethyl-1,4-dithian-2-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 103345566
(5-methyl-1-benzofuran-2-yl)-(oxan-4-yl)methanol
CID 114723696
(3-ethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114726702
[(4-ethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105231380
(5-chloro-1-benzofuran-2-yl)-(4-propylcyclohexyl)methanamine
CID 114729243
(5-chloro-1-benzofuran-2-yl)-(4-ethylcyclohexyl)methanamine
CID 114729198
(2-methoxy-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326884
1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine
CID 114728409
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-benzofuran-2-yl)-(3-methylcyclopentyl)methanamine?
The IUPAC name of (5-methyl-1-benzofuran-2-yl)-(3-methylcyclopentyl)methanamine (CID 114729273) is (5-methyl-1-benzofuran-2-yl)-(3-methylcyclopentyl)methanamine.
What is the SMILES notation for (5-methyl-1-benzofuran-2-yl)-(3-methylcyclopentyl)methanamine?
The canonical SMILES for (5-methyl-1-benzofuran-2-yl)-(3-methylcyclopentyl)methanamine is Cc1ccc2oc(C(N)C3CCC(C)C3)cc2c1.
What is the InChIKey of (5-methyl-1-benzofuran-2-yl)-(3-methylcyclopentyl)methanamine?
The InChIKey is UYPZOXNNPNDIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-10-3-5-12(7-10)16(17)15-9-13-8-11(2)4-6-14(13)18-15/h4,6,8-10,12,16H,3,5,7,17H2,1-2H3.
What are the key properties of (5-methyl-1-benzofuran-2-yl)-(3-methylcyclopentyl)methanamine?
(5-methyl-1-benzofuran-2-yl)-(3-methylcyclopentyl)methanamine has a molecular weight of 243.35 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-benzofuran-2-yl)-(3-methylcyclopentyl)methanamine is sourced from PubChem (CID 114729273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).