N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-4-methylaniline

C18H21NO — CID 64509256

IUPACN-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2cccc3c2OC(C)(C)C3)cc1
InChIInChI=1S/C18H21NO/c1-13-7-9-16(10-8-13)19-12-15-6-4-5-14-11-18(2,3)20-17(14)15/h4-10,19H,11-12H2,1-3H3
InChIKeySJJXTWKWTNIREV-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.32
Rot. Bonds3

About N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-4-methylaniline

N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-4-methylaniline (PubChem CID 64509256) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-4-methylaniline.

Molecular Properties

Compound NameN-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-4-methylaniline
PubChem CID64509256
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2cccc3c2OC(C)(C)C3)cc1
InChIInChI=1S/C18H21NO/c1-13-7-9-16(10-8-13)19-12-15-6-4-5-14-11-18(2,3)20-17(14)15/h4-10,19H,11-12H2,1-3H3
InChIKeySJJXTWKWTNIREV-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-5-methylaniline
CID 107582306
5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-2-methylphenol
CID 107700263
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-iodo-4-methylaniline
CID 64508368
4-bromo-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylaniline
CID 64509027
7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-4H-1,4-benzoxazin-3-one
CID 75518165
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-6-fluoropyridin-2-amine
CID 116519991
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]thiadiazol-5-amine
CID 107234323
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrazin-2-amine
CID 126782877
1,1-dicyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]methanamine
CID 64508357
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclohexanamine
CID 64509473
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylpropan-2-amine
CID 117313350

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-4-methylaniline?
The IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-4-methylaniline (CID 64509256) is N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-4-methylaniline.
What is the SMILES notation for N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-4-methylaniline?
The canonical SMILES for N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-4-methylaniline is Cc1ccc(NCc2cccc3c2OC(C)(C)C3)cc1.
What is the InChIKey of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-4-methylaniline?
The InChIKey is SJJXTWKWTNIREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-7-9-16(10-8-13)19-12-15-6-4-5-14-11-18(2,3)20-17(14)15/h4-10,19H,11-12H2,1-3H3.
What are the key properties of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-4-methylaniline?
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-4-methylaniline has a molecular weight of 267.37 g/mol, XLogP of 4.32, 3 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]-4-methylaniline is sourced from PubChem (CID 64509256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).