1-(7-chloro-1-benzofuran-2-yl)-2-(4-methylphenyl)ethanamine

C17H16ClNO — CID 114728299

IUPAC1-(7-chloro-1-benzofuran-2-yl)-2-(4-methylphenyl)ethanamine
SMILESCc1ccc(CC(N)c2cc3cccc(Cl)c3o2)cc1
InChIInChI=1S/C17H16ClNO/c1-11-5-7-12(8-6-11)9-15(19)16-10-13-3-2-4-14(18)17(13)20-16/h2-8,10,15H,9,19H2,1H3
InChIKeyFNOCNCRSTKIKKQ-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.64
Rot. Bonds3

About 1-(7-chloro-1-benzofuran-2-yl)-2-(4-methylphenyl)ethanamine

1-(7-chloro-1-benzofuran-2-yl)-2-(4-methylphenyl)ethanamine (PubChem CID 114728299) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is 1-(7-chloro-1-benzofuran-2-yl)-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-2-(4-methylphenyl)ethanamine
PubChem CID114728299
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-2-(4-methylphenyl)ethanamine
SMILESCc1ccc(CC(N)c2cc3cccc(Cl)c3o2)cc1
InChIInChI=1S/C17H16ClNO/c1-11-5-7-12(8-6-11)9-15(19)16-10-13-3-2-4-14(18)17(13)20-16/h2-8,10,15H,9,19H2,1H3
InChIKeyFNOCNCRSTKIKKQ-UHFFFAOYSA-N
XLogP4.64
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanamine
CID 114727608
1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethanol
CID 114726389
[1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105208993
(7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine
CID 105048440
(7-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanamine
CID 114730975
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 105048451
1-(7-chloro-1-benzofuran-2-yl)propan-2-amine
CID 114735430
1-(7-chloro-1-benzofuran-2-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
CID 114729528
1-(7-chloro-1-benzofuran-2-yl)-2,2-difluoroethanamine
CID 103517192
1-(7-chloro-1-benzofuran-2-yl)-2-(2,5-dimethylphenyl)ethanol
CID 115837599
1-(7-bromo-1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 103043411
2-(3,4-difluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 105045588

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-2-(4-methylphenyl)ethanamine?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-2-(4-methylphenyl)ethanamine (CID 114728299) is 1-(7-chloro-1-benzofuran-2-yl)-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-2-(4-methylphenyl)ethanamine is Cc1ccc(CC(N)c2cc3cccc(Cl)c3o2)cc1.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-2-(4-methylphenyl)ethanamine?
The InChIKey is FNOCNCRSTKIKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-11-5-7-12(8-6-11)9-15(19)16-10-13-3-2-4-14(18)17(13)20-16/h2-8,10,15H,9,19H2,1H3.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-2-(4-methylphenyl)ethanamine?
1-(7-chloro-1-benzofuran-2-yl)-2-(4-methylphenyl)ethanamine has a molecular weight of 285.77 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-benzofuran-2-yl)-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 114728299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).