(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanamine

C18H18FNO — CID 105046160

IUPAC(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2cc3cc(F)ccc3o2)c(C)c1
InChIInChI=1S/C18H18FNO/c1-10-6-11(2)17(12(3)7-10)18(20)16-9-13-8-14(19)4-5-15(13)21-16/h4-9,18H,20H2,1-3H3
InChIKeyVSGMIYPLAINKQZ-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.55
Rot. Bonds2

About (5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanamine

(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanamine (PubChem CID 105046160) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is (5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanamine.

Molecular Properties

Compound Name(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanamine
PubChem CID105046160
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2cc3cc(F)ccc3o2)c(C)c1
InChIInChI=1S/C18H18FNO/c1-10-6-11(2)17(12(3)7-10)18(20)16-9-13-8-14(19)4-5-15(13)21-16/h4-9,18H,20H2,1-3H3
InChIKeyVSGMIYPLAINKQZ-UHFFFAOYSA-N
XLogP4.55
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046082
1-benzofuran-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881511
(3-chloro-4-methylthiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 103407460
[(3,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105338687
(5-chloro-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046147
(4-bromo-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046089
(5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanamine
CID 105185794
(4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114727555
1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine
CID 55182202
(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 115808993
1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 114730411
(2-fluoro-4,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 106884110

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanamine?
The IUPAC name of (5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanamine (CID 105046160) is (5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanamine.
What is the SMILES notation for (5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanamine?
The canonical SMILES for (5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanamine is Cc1cc(C)c(C(N)c2cc3cc(F)ccc3o2)c(C)c1.
What is the InChIKey of (5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanamine?
The InChIKey is VSGMIYPLAINKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-10-6-11(2)17(12(3)7-10)18(20)16-9-13-8-14(19)4-5-15(13)21-16/h4-9,18H,20H2,1-3H3.
What are the key properties of (5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanamine?
(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanamine has a molecular weight of 283.35 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanamine is sourced from PubChem (CID 105046160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).