[5-fluoro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

C16H16FNO — CID 11172910

IUPAC[5-fluoro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCc1cccc(-c2cc(F)cc3c2OC(CN)C3)c1
InChIInChI=1S/C16H16FNO/c1-10-3-2-4-11(5-10)15-8-13(17)6-12-7-14(9-18)19-16(12)15/h2-6,8,14H,7,9,18H2,1H3
InChIKeyLWWVNCAOKHGAFL-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.06
Rot. Bonds2

About [5-fluoro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

[5-fluoro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 11172910) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is [5-fluoro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[5-fluoro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID11172910
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name[5-fluoro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCc1cccc(-c2cc(F)cc3c2OC(CN)C3)c1
InChIInChI=1S/C16H16FNO/c1-10-3-2-4-11(5-10)15-8-13(17)6-12-7-14(9-18)19-16(12)15/h2-6,8,14H,7,9,18H2,1H3
InChIKeyLWWVNCAOKHGAFL-UHFFFAOYSA-N
XLogP3.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [5-fluoro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Apdb
CID 192601
2-(2-Phenylphenoxy)ethan-1-amine hydrochloride
CID 2876913
Tetrahydrofuranyl ethylamine, 15
CID 44143473
[(2R,5S)-5-[3-(5-fluoro-2-methoxyphenyl)propyl]oxolan-2-yl]methanamine
CID 44590726
2-(3-Fluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine
CID 56673395
cis-2-Aminomethyl-5-(2''-methoxy-5''-fluorophenylmethyl)tetrahydrofuran
CID 11499666
trans-2-Aminomethyl-5-(2''-methoxy-5''-fluorophenylmethyl)tetrahydrofuran
CID 44590690
trans-2-(Aminomethyl)-5-(2''-methoxy-5''-fluorophenethyl)tetrahydrofuran
CID 44590692
cis-2-(Aminomethyl)-5-(2''-methoxy-5''-fluorophenethyl)tetrahydrofuran
CID 44590693
1-Cyclohexyl-2-(2,6-dimethylphenoxy)ethanamine;hydrochloride
CID 162334204
2-[2-[(3-Ethylphenyl)methoxy]-3,5-difluorophenyl]cyclopropan-1-amine
CID 56673396
[7-(2,4-Dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11404165

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [5-fluoro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 11172910) is [5-fluoro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [5-fluoro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [5-fluoro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is Cc1cccc(-c2cc(F)cc3c2OC(CN)C3)c1.
What is the InChIKey of [5-fluoro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is LWWVNCAOKHGAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-10-3-2-4-11(5-10)15-8-13(17)6-12-7-14(9-18)19-16(12)15/h2-6,8,14H,7,9,18H2,1H3.
What are the key properties of [5-fluoro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[5-fluoro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 257.31 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 11172910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).