N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-(2-methylcyclopentyl)methanamine

C18H27NO — CID 107417645

IUPACN-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-(2-methylcyclopentyl)methanamine
SMILESCC1CCCC1CNCc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C18H27NO/c1-13-6-4-8-15(13)11-19-12-16-9-5-7-14-10-18(2,3)20-17(14)16/h5,7,9,13,15,19H,4,6,8,10-12H2,1-3H3
InChIKeyKINCDASKBUVOSJ-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.93
Rot. Bonds4

About N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-(2-methylcyclopentyl)methanamine

N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-(2-methylcyclopentyl)methanamine (PubChem CID 107417645) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-(2-methylcyclopentyl)methanamine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-(2-methylcyclopentyl)methanamine
PubChem CID107417645
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-(2-methylcyclopentyl)methanamine
SMILESCC1CCCC1CNCc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C18H27NO/c1-13-6-4-8-15(13)11-19-12-16-9-5-7-14-10-18(2,3)20-17(14)16/h5,7,9,13,15,19H,4,6,8,10-12H2,1-3H3
InChIKeyKINCDASKBUVOSJ-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-(thian-2-yl)methanamine
CID 80600345
2-cyclopentyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]ethanamine
CID 64507929
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylcyclohexan-1-amine
CID 64506591
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclohexanamine
CID 64509473
1-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]cyclohexan-1-ol
CID 64688757
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 64509045
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 71929306
3-[[(2-methylcyclopentyl)methylamino]methyl]benzene-1,2-diol
CID 107417630
1,1-dicyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]methanamine
CID 64508357
4-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]phenol
CID 115641600
1-cyclohexyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]ethanamine
CID 64508824
3-(cyclopropylmethoxy)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]propan-1-amine
CID 64508361

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-(2-methylcyclopentyl)methanamine?
The IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-(2-methylcyclopentyl)methanamine (CID 107417645) is N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-(2-methylcyclopentyl)methanamine.
What is the SMILES notation for N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-(2-methylcyclopentyl)methanamine?
The canonical SMILES for N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-(2-methylcyclopentyl)methanamine is CC1CCCC1CNCc1cccc2c1OC(C)(C)C2.
What is the InChIKey of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-(2-methylcyclopentyl)methanamine?
The InChIKey is KINCDASKBUVOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13-6-4-8-15(13)11-19-12-16-9-5-7-14-10-18(2,3)20-17(14)16/h5,7,9,13,15,19H,4,6,8,10-12H2,1-3H3.
What are the key properties of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-(2-methylcyclopentyl)methanamine?
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-(2-methylcyclopentyl)methanamine has a molecular weight of 273.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-(2-methylcyclopentyl)methanamine is sourced from PubChem (CID 107417645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).