(3-chloro-4-fluorophenyl)-(3-methyl-1-benzofuran-2-yl)methanamine

C16H13ClFNO — CID 43149692

IUPAC(3-chloro-4-fluorophenyl)-(3-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1c(C(N)c2ccc(F)c(Cl)c2)oc2ccccc12
InChIInChI=1S/C16H13ClFNO/c1-9-11-4-2-3-5-14(11)20-16(9)15(19)10-6-7-13(18)12(17)8-10/h2-8,15H,19H2,1H3
InChIKeyHOANPWZYMZNNSW-UHFFFAOYSA-N
MW289.74 g/mol
LogP4.58
Rot. Bonds2

About (3-chloro-4-fluorophenyl)-(3-methyl-1-benzofuran-2-yl)methanamine

(3-chloro-4-fluorophenyl)-(3-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 43149692) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-(3-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-(3-methyl-1-benzofuran-2-yl)methanamine
PubChem CID43149692
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name(3-chloro-4-fluorophenyl)-(3-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1c(C(N)c2ccc(F)c(Cl)c2)oc2ccccc12
InChIInChI=1S/C16H13ClFNO/c1-9-11-4-2-3-5-14(11)20-16(9)15(19)10-6-7-13(18)12(17)8-10/h2-8,15H,19H2,1H3
InChIKeyHOANPWZYMZNNSW-UHFFFAOYSA-N
XLogP4.58
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-fluorophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanamine
CID 63549669
(3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methanamine
CID 43149687
(3,4-dichlorophenyl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine
CID 63067697
(3,4-dichlorophenyl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine
CID 43505426
(3-chloro-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanamine
CID 82876904
4-[amino-(5-chloro-3-methyl-1-benzofuran-2-yl)methyl]benzonitrile
CID 62072398
(5-chloro-3-methyl-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine
CID 62073399
4-chloro-2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline
CID 43766524
(3-chloro-4-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82822542
(1,3-dimethylpyrazol-4-yl)-(3-methyl-1-benzofuran-2-yl)methanamine
CID 65197301
3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]aniline
CID 43762035
(3-chloro-4-methylphenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine
CID 63506381

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-(3-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (3-chloro-4-fluorophenyl)-(3-methyl-1-benzofuran-2-yl)methanamine (CID 43149692) is (3-chloro-4-fluorophenyl)-(3-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-(3-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (3-chloro-4-fluorophenyl)-(3-methyl-1-benzofuran-2-yl)methanamine is Cc1c(C(N)c2ccc(F)c(Cl)c2)oc2ccccc12.
What is the InChIKey of (3-chloro-4-fluorophenyl)-(3-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is HOANPWZYMZNNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c1-9-11-4-2-3-5-14(11)20-16(9)15(19)10-6-7-13(18)12(17)8-10/h2-8,15H,19H2,1H3.
What are the key properties of (3-chloro-4-fluorophenyl)-(3-methyl-1-benzofuran-2-yl)methanamine?
(3-chloro-4-fluorophenyl)-(3-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 289.74 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-(3-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 43149692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).