[4-(2,2-dimethyl-3H-1-benzofuran-6-yl)phenyl]methanamine

C17H19NO — CID 151427934

IUPAC[4-(2,2-dimethyl-3H-1-benzofuran-6-yl)phenyl]methanamine
SMILESCC1(C)Cc2ccc(-c3ccc(CN)cc3)cc2O1
InChIInChI=1S/C17H19NO/c1-17(2)10-15-8-7-14(9-16(15)19-17)13-5-3-12(11-18)4-6-13/h3-9H,10-11,18H2,1-2H3
InChIKeyPBXFAAAFWKTHQL-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.53
Rot. Bonds2

About [4-(2,2-dimethyl-3H-1-benzofuran-6-yl)phenyl]methanamine

[4-(2,2-dimethyl-3H-1-benzofuran-6-yl)phenyl]methanamine (PubChem CID 151427934) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is [4-(2,2-dimethyl-3H-1-benzofuran-6-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2,2-dimethyl-3H-1-benzofuran-6-yl)phenyl]methanamine
PubChem CID151427934
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name[4-(2,2-dimethyl-3H-1-benzofuran-6-yl)phenyl]methanamine
SMILESCC1(C)Cc2ccc(-c3ccc(CN)cc3)cc2O1
InChIInChI=1S/C17H19NO/c1-17(2)10-15-8-7-14(9-16(15)19-17)13-5-3-12(11-18)4-6-13/h3-9H,10-11,18H2,1-2H3
InChIKeyPBXFAAAFWKTHQL-UHFFFAOYSA-N
XLogP3.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2-dimethyl-3H-1-benzofuran-6-yl)methanamine
CID 82599528
1-(2,2-dimethyl-3H-1-benzofuran-6-yl)propan-2-amine
CID 117294068
2-amino-3-(2,2-dimethyl-3H-1-benzofuran-6-yl)propanoic acid
CID 82389430
1-[4-(2,2-dimethyl-3H-1-benzofuran-5-yl)phenyl]-N-methylmethanamine
CID 62325434
6-chloro-2,2-dimethyl-3H-1-benzofuran
CID 13333889
5-(2,2-dimethyl-3H-1-benzofuran-5-yl)pentan-1-amine
CID 65305870
3-(2,2-dimethyl-3H-1-benzofuran-6-yl)propanoic acid
CID 82392727
[1-(2,2-dimethyl-3H-1-benzofuran-6-yl)cyclohexyl]methanamine
CID 117402987
3-(2,2-dimethyl-3H-1-benzofuran-5-yl)aniline
CID 62324887
4-(2,2-dimethyl-3,4-dihydrochromen-7-yl)butan-1-amine
CID 117339343
1-[2-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine
CID 117405680
1-[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)phenyl]propan-1-amine
CID 62326891

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-dimethyl-3H-1-benzofuran-6-yl)phenyl]methanamine?
The IUPAC name of [4-(2,2-dimethyl-3H-1-benzofuran-6-yl)phenyl]methanamine (CID 151427934) is [4-(2,2-dimethyl-3H-1-benzofuran-6-yl)phenyl]methanamine.
What is the SMILES notation for [4-(2,2-dimethyl-3H-1-benzofuran-6-yl)phenyl]methanamine?
The canonical SMILES for [4-(2,2-dimethyl-3H-1-benzofuran-6-yl)phenyl]methanamine is CC1(C)Cc2ccc(-c3ccc(CN)cc3)cc2O1.
What is the InChIKey of [4-(2,2-dimethyl-3H-1-benzofuran-6-yl)phenyl]methanamine?
The InChIKey is PBXFAAAFWKTHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-17(2)10-15-8-7-14(9-16(15)19-17)13-5-3-12(11-18)4-6-13/h3-9H,10-11,18H2,1-2H3.
What are the key properties of [4-(2,2-dimethyl-3H-1-benzofuran-6-yl)phenyl]methanamine?
[4-(2,2-dimethyl-3H-1-benzofuran-6-yl)phenyl]methanamine has a molecular weight of 253.34 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-dimethyl-3H-1-benzofuran-6-yl)phenyl]methanamine is sourced from PubChem (CID 151427934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).