(4-bromo-2-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine

C17H17BrFNO — CID 62324313

IUPAC(4-bromo-2-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine
SMILESCC1(C)Cc2cc(C(N)c3ccc(Br)cc3F)ccc2O1
InChIInChI=1S/C17H17BrFNO/c1-17(2)9-11-7-10(3-6-15(11)21-17)16(20)13-5-4-12(18)8-14(13)19/h3-8,16H,9,20H2,1-2H3
InChIKeySJVAAHFPUIXYEF-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.35
Rot. Bonds2

About (4-bromo-2-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine

(4-bromo-2-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine (PubChem CID 62324313) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine
PubChem CID62324313
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Name(4-bromo-2-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine
SMILESCC1(C)Cc2cc(C(N)c3ccc(Br)cc3F)ccc2O1
InChIInChI=1S/C17H17BrFNO/c1-17(2)9-11-7-10(3-6-15(11)21-17)16(20)13-5-4-12(18)8-14(13)19/h3-8,16H,9,20H2,1-2H3
InChIKeySJVAAHFPUIXYEF-UHFFFAOYSA-N
XLogP4.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine
CID 62648407
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2-methylphenyl)methanamine
CID 62326697
(4-bromo-2-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 61027758
(4-bromo-2-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 43186704
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 62324505
(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 43197612
(5-bromo-2-chlorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
CID 63427339
5-(1-bromo-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran
CID 63447752
4-bromo-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-fluoroaniline
CID 63419332
5-[(2-bromo-5-fluorophenyl)-chloromethyl]-2,2-dimethyl-3H-1-benzofuran
CID 63447881
(2,3-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
CID 62660576
5-[chloro-(3,5-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran
CID 63447840

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine?
The IUPAC name of (4-bromo-2-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine (CID 62324313) is (4-bromo-2-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine?
The canonical SMILES for (4-bromo-2-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine is CC1(C)Cc2cc(C(N)c3ccc(Br)cc3F)ccc2O1.
What is the InChIKey of (4-bromo-2-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine?
The InChIKey is SJVAAHFPUIXYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c1-17(2)9-11-7-10(3-6-15(11)21-17)16(20)13-5-4-12(18)8-14(13)19/h3-8,16H,9,20H2,1-2H3.
What are the key properties of (4-bromo-2-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine?
(4-bromo-2-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine has a molecular weight of 350.23 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine is sourced from PubChem (CID 62324313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).