(2,2-dimethylcyclopentyl)-(7-methyl-1-benzofuran-2-yl)methanamine

C17H23NO — CID 107191137

IUPAC(2,2-dimethylcyclopentyl)-(7-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1cccc2cc(C(N)C3CCCC3(C)C)oc12
InChIInChI=1S/C17H23NO/c1-11-6-4-7-12-10-14(19-16(11)12)15(18)13-8-5-9-17(13,2)3/h4,6-7,10,13,15H,5,8-9,18H2,1-3H3
InChIKeyQHWIRGBSOUFBHM-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.57
Rot. Bonds2

About (2,2-dimethylcyclopentyl)-(7-methyl-1-benzofuran-2-yl)methanamine

(2,2-dimethylcyclopentyl)-(7-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 107191137) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is (2,2-dimethylcyclopentyl)-(7-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(2,2-dimethylcyclopentyl)-(7-methyl-1-benzofuran-2-yl)methanamine
PubChem CID107191137
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name(2,2-dimethylcyclopentyl)-(7-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1cccc2cc(C(N)C3CCCC3(C)C)oc12
InChIInChI=1S/C17H23NO/c1-11-6-4-7-12-10-14(19-16(11)12)15(18)13-8-5-9-17(13,2)3/h4,6-7,10,13,15H,5,8-9,18H2,1-3H3
InChIKeyQHWIRGBSOUFBHM-UHFFFAOYSA-N
XLogP4.57
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2,2-dimethylcyclopropyl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 107005862
1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440950
1-(2,2-dimethylcyclopropyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107005057
(7-methyl-1-benzofuran-2-yl)-(1-methylcyclopentyl)methanol
CID 115836488
(2,2-dimethylcyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 107192972
[(7-chloro-1-benzofuran-2-yl)-(2,2-dimethylcyclohexyl)methyl]hydrazine
CID 107194873
2-cyclohexylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 114729022
(7-methyl-1-benzofuran-2-yl)-(1,4-oxathian-2-yl)methanamine
CID 114730009
3-methoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 114728058
(2-amino-1-methylcyclopentyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 114737310
2-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-1-ylpropan-1-amine
CID 114729557
1-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 114729233

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopentyl)-(7-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (2,2-dimethylcyclopentyl)-(7-methyl-1-benzofuran-2-yl)methanamine (CID 107191137) is (2,2-dimethylcyclopentyl)-(7-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (2,2-dimethylcyclopentyl)-(7-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (2,2-dimethylcyclopentyl)-(7-methyl-1-benzofuran-2-yl)methanamine is Cc1cccc2cc(C(N)C3CCCC3(C)C)oc12.
What is the InChIKey of (2,2-dimethylcyclopentyl)-(7-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is QHWIRGBSOUFBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-11-6-4-7-12-10-14(19-16(11)12)15(18)13-8-5-9-17(13,2)3/h4,6-7,10,13,15H,5,8-9,18H2,1-3H3.
What are the key properties of (2,2-dimethylcyclopentyl)-(7-methyl-1-benzofuran-2-yl)methanamine?
(2,2-dimethylcyclopentyl)-(7-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 257.38 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopentyl)-(7-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 107191137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).